SCHEMBL2339903

SCHEMBL2339903

CC(C)(C)c1ccc(-n2c(N3CCNCC3)c(C=O)c3ccccc32)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.44
HTR2A P28223 1/20 0.44
KDR P35968 1/20 0.43
REN P00797 5/20 0.43
HTR1A P08908 3/20 0.40
HTR3A P46098 1/20 0.40
PPARG P37231 4/20 0.38
HPGD P15428 1/20 0.36
PPARA Q07869 2/20 0.36
HTR6 P50406 4/20 0.36
HTR1D P28221 2/20 0.36
HTR1B P28222 2/20 0.36
MEN1 O00255 1/20 0.35
USP2 O75604 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
KMT2A Q03164 1/20 0.35
HIF1A Q16665 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30418214 1.00 HTR2C (0.44) HTR2CHTR2AKDRRENHTR1A
SCHEMBL2349349 0.88 REN (0.42) RENPPARGHPGDPPARAHTR6
SCHEMBL2345067 0.87 HTR6 (0.40) PPARGHPGDPPARAHTR6MEN1
SCHEMBL2342897 0.87 HTR2A (0.47) HTR2CHTR2AKDRRENHTR1A
SCHEMBL2340878 0.87 KDR (0.55) HTR2CHTR2AKDRRENHTR1A
SCHEMBL8292277 0.86 KDR (0.54) HTR2CHTR2AKDRRENHTR1A
SCHEMBL2347551 0.85 HTR2A (0.47) HTR2CHTR2AKDRRENHTR3A
SCHEMBL8290615 0.85 KDR (0.48) HTR2CHTR2AKDRRENHTR1A
SCHEMBL30417918 0.85 HTR2A (0.47) HTR2CHTR2AKDRRENHTR1A
SCHEMBL2344161 0.85 HTR2A (0.47) HTR2CHTR2AKDRRENHTR1A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7405300-B2 Substituted indoles as inhibitors of poly (ADP-ribose) polymerase (PARP) AVENTIS PHARMAVEUTICALS INC. (US) 2008-07-29 US claimed
JP-2007504238-A 2007-03-01 JP claimed
CN-1870991-A Substituted indoles as inhibitors of poly (ADP-ribose) polymerase (PARP) AVENTIS PHARMA INC (US) 2006-11-29 CN claimed
EP-1663202-A1 SUBSTITUTED INDOLES AS INHIBITORS OF POLY (ADP-RIBOSE) POLYMERASE (PARP) Aventis Pharmaceuticals, Inc. (US) 2006-06-07 EP claimed
WO-2005023246-A1 SUBSTITUTED INDOLES AS INHIBITORS OF POLY (ADP-RIBOSE) POLYMERASE (PARP) AVENTIS PHARMACEUTICALS INC. (US) 2005-03-17 WO claimed
US-20050054631-A1 Substituted indoles as inhibitors of poly (ADP-ribose) polymerase (PARP) AVENTIS PHARMACEUTICALS INC. (US) 2005-03-10 US claimed
US-20240156808-A1 Compositions and methods to improve the therapeutic benefit of suboptimally chemical compounds and biological therapies including substituted camptothecins such as irinotecan and topotecan for the treatment of benign and neoplastic hyperproliferative disease conditions, infections, inflammatory and immunological diseases EDISON ONCOLOGY (US) 2024-05-16 US disclosed
EP-4297746-A2 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF SUBOPTIMALLY ADMINISTERED COMPOUNDS AND THERAPIES FOR THE TREATMENT OF DISEASES Edison Oncology (US) 2024-01-03 EP disclosed
WO-2023069727-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF HYPERPROLIFERATIVE, INFLAMMATORY, AND IMMUNOLOGICAL DISEASES, AND INFECTIONS EDISON ONCOLOGY (US) 2023-04-27 WO disclosed
US-11446274-B2 Use of dianhydrogalactitol or derivatives or analogs thereof for treatment of pediatric central nervous system malignancies DEL MAR PHARMACEUTICALS (BC) LTD. (CA) 2022-09-20 US disclosed
US-20190183843-A9 USE OF DIANHYDROGALACTITOL OR DERIVATIVES OR ANALOGS THEREOF FOR TREATMENT OF PEDIATRIC CENTRAL NERVOUS SYSTEM MALIGNANCIES DELMAR PHARMACEUTICALS, INC. (CA) 2019-06-20 US disclosed
US-20190175541-A1 USE OF DIANHYDROGALACTITOL OR DERIVATIVES OR ANALOGS THEREOF FOR TREATMENT OF PEDIATRIC CENTRAL NERVOUS SYSTEM MALIGNANCIES DELMAR PHARMACEUTICALS, INC. (CA) 2019-06-13 US disclosed
US-20190091195-A1 USE OF DIANHYDROGALACTITOL AND DERIVATIVES THEREOF IN THE TREATMENT OF GLIOBLASTOMA, LUNG CANCER, AND OVARIAN CANCER DEL MAR PHARMACEUTICALS (CA) 2019-03-28 US disclosed
US-7405300-B2 Substituted indoles as inhibitors of poly (ADP-ribose) polymerase (PARP) AVENTIS PHARMAVEUTICALS INC. (US) 2008-07-29 US disclosed
US-7405300-B2 Substituted indoles as inhibitors of poly (ADP-ribose) polymerase (PARP) AVENTIS PHARMAVEUTICALS INC. (US) 2008-07-29 US disclosed
CN-1870991-A Substituted indoles as inhibitors of poly (ADP-ribose) polymerase (PARP) AVENTIS PHARMA INC (US) 2006-11-29 CN disclosed
EP-1663202-A1 SUBSTITUTED INDOLES AS INHIBITORS OF POLY (ADP-RIBOSE) POLYMERASE (PARP) Aventis Pharmaceuticals, Inc. (US) 2006-06-07 EP disclosed
WO-2005023246-A1 SUBSTITUTED INDOLES AS INHIBITORS OF POLY (ADP-RIBOSE) POLYMERASE (PARP) AVENTIS PHARMACEUTICALS INC. (US) 2005-03-17 WO disclosed
WO-2005023246-A1 SUBSTITUTED INDOLES AS INHIBITORS OF POLY (ADP-RIBOSE) POLYMERASE (PARP) AVENTIS PHARMACEUTICALS INC. (US) 2005-03-17 WO disclosed
US-20050054631-A1 Substituted indoles as inhibitors of poly (ADP-ribose) polymerase (PARP) AVENTIS PHARMACEUTICALS INC. (US) 2005-03-10 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20190175541-A1 USE OF DIANHYDROGALACTITOL OR DERIVATIVES OR ANALOGS THEREOF FOR TREATMENT OF PEDIATRIC CENTRAL NERVOUS SYSTEM MALIGNANCIES DCK, CDC7, DNMT1 HTR2C 3019/4885HTR2A 4379/4885KDR 2782/4885
US-20050054631-A1 Substituted indoles as inhibitors of poly (ADP-ribose) polymerase (PARP) PARP1, PARP11, PARP3 HTR2C 438/4885HTR2A 112/4885KDR 532/4885
US-11446274-B2 Use of dianhydrogalactitol or derivatives or analogs thereof for treatment of pediatric central nervous system malignancies DCK, CDC7, DNMT1 HTR2C 3019/4885HTR2A 4379/4885KDR 2782/4885
US-20240156808-A1 Compositions and methods to improve the therapeutic benefit of suboptimally chemical compounds and biological therapies including substituted camptothecins such as irinotecan and topotecan for the treatment of benign and neoplastic hyperproliferative disease conditions, infections, inflammatory and immunological diseases TOP2A, TOP2B, TOP1 HTR2C 3702/4885HTR2A 3483/4885KDR 1268/4885
US-20190183843-A9 USE OF DIANHYDROGALACTITOL OR DERIVATIVES OR ANALOGS THEREOF FOR TREATMENT OF PEDIATRIC CENTRAL NERVOUS SYSTEM MALIGNANCIES DCK, CDC7, DNMT1 HTR2C 3019/4885HTR2A 4379/4885KDR 2782/4885
US-20190091195-A1 USE OF DIANHYDROGALACTITOL AND DERIVATIVES THEREOF IN THE TREATMENT OF GLIOBLASTOMA, LUNG CANCER, AND OVARIAN CANCER DDOST, DCLRE1A, OGG1 HTR2C 4242/4885HTR2A 4697/4885KDR 2367/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.