SCHEMBL256845

SCHEMBL256845

COc1c(C)cccc1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.50
HTR1A P08908 5/20 0.44
SLC6A2 P23975 5/20 0.44
SLC6A4 P31645 4/20 0.44
SCN8A Q9UQD0 2/20 0.40
ALDH1A1 P00352 2/20 0.39
KMT2A Q03164 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KRAS P01116 2/20 0.37
SCN4A P35499 3/20 0.36
CYP1A2 P05177 3/20 0.36
LMNA P02545 2/20 0.36
SCN1A P35498 2/20 0.36
SCN5A Q14524 2/20 0.36
SCN9A Q15858 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36

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
SCHEMBL475141 0.85 ALDH1A1 (0.46) ACHESLC6A2SLC6A4ALDH1A1KMT2A
SCHEMBL145464 0.82 ALDH1A1 (0.48) ACHESLC6A4SCN8AALDH1A1KDM4E
SCHEMBL10122743 0.81 ACHE (0.46) ACHEHTR1ASLC6A2SLC6A4SCN8A
SCHEMBL11126215 0.78 HTR1A (0.47) ACHEHTR1ASLC6A2SLC6A4ALDH1A1
SCHEMBL10336282 0.78 ALDH1A1 (0.40) ALDH1A1KMT2AKDM4EMAPK1SMN1; SMN2
SCHEMBL21437058 0.78 TUBB1 (0.36) ACHEHTR1ASLC6A2SLC6A4ALDH1A1
SCHEMBL12773675 0.77 ACHE (0.42) ACHEHTR1ASLC6A2SLC6A4SCN8A
SCHEMBL29669870 0.76 NFE2L2 (0.50) ALDH1A1KMT2AKDM4EMAPK1SMN1; SMN2
SCHEMBL1627720 0.76 NFE2L2 (0.50) ALDH1A1KMT2AKDM4EMAPK1SMN1; SMN2
SCHEMBL14409292 0.76 ACHE (0.44) ACHEHTR1ASLC6A2SLC6A4SCN8A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230364070-A1 PYRROLO[3,2-C]PYRIDIN-4-ONE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER ANTARES THERAPEUTICS, INC. 2023-11-16 US disclosed
WO-2023205595-A2 EGFR INHIBITORS IN CANCER TREATMENT CELYN THERAPEUTICS, INC (US) 2023-10-26 WO disclosed
EP-4227307-A1 PYRAZOLOPYRAZINE COMPOUNDS AS SHP2 INHIBITORS Genzyme Corporation (US) 2023-08-16 EP disclosed
WO-2023130054-A2 HETEROARYL COMPOUNDS AS INHIBITORS OF IRAK4, COMPOSITIONS AND APPLICATIONS THEREOF ACCRO BIOSCIENCE (HK) LIMITED (CN) 2023-07-06 WO disclosed
WO-2023114954-A1 PYRAZOLOPYRAZINE COMPOUNDS AS SHP2 INHIBITORS GENZYME CORPORATION (US) 2023-06-22 WO disclosed
US-20230109839-A1 THERAPEUTIC AGENT FOR TAUOPATHIES Sumitomo Pharma Co., Ltd. (JP) 2023-04-13 US disclosed
EP-3865475-A1 PROCESS FOR PREPARING PYRIDONE AMIDES WHICH ARE MODULATORS OF SODIUM CHANNELS AND INTERMEDIATE COMPOUNDS USED THEREIN Vertex Pharmaceuticals Incorporated (US) 2021-08-18 EP disclosed
WO-2021126693-A1 GEM-DISUBSTITUTED PIPERIDINE MELANOCORTIN SUBTYPE-2 RECEPTOR (MC2R) ANTAGONISTS AND USES THEREOF Crinetics Pharmaceuticals, Inc. (US) 2021-06-24 WO disclosed
WO-2021127333-A1 TRPML MODULATORS CASMA THERAPEUTICS, INC. (US) 2021-06-24 WO disclosed
WO-2021063346-A1 KRAS G12C INHIBITOR AND APPLICATION THEREOF 上海迪诺医药科技有限公司 2021-04-08 WO disclosed
US-7323567-B2 RSV polymerase inhibitors BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2008-01-29 US disclosed
US-20070225317-A1 RSV POLYMERASE INHIBITORS SIMONEAU BRUNO 2007-09-27 US disclosed
US-20070219216-A1 1-Alkylpiperazinyl-Pyrrolidin-2,5-Dione Derivatives as Adrenergic Receptor Antagonists RANBAXY LABORATORIES LIMITED (IN) 2007-09-20 US disclosed
US-20070219216-A1 1-Alkylpiperazinyl-Pyrrolidin-2,5-Dione Derivatives as Adrenergic Receptor Antagonists RANBAXY LABORATORIES LIMITED (IN) 2007-09-20 US disclosed
US-20070185078-A1 Substituted triazole derivatives as oxytocin antagonists PFIZER, INC. 2007-08-09 US disclosed
US-20070027318-A1 Quinoline derivatives and quinazoline derivatives KIRIN BEER KABUSHIKI KAISHA (JP) 2007-02-01 US disclosed
US-20070027318-A1 Quinoline derivatives and quinazoline derivatives KIRIN BEER KABUSHIKI KAISHA (JP) 2007-02-01 US disclosed
US-7169789-B2 Quinoline derivatives and quinazoline derivatives KIRIN BEER KABUSHIKI KAISHA (JP) 2007-01-30 US disclosed
US-7169789-B2 Quinoline derivatives and quinazoline derivatives KIRIN BEER KABUSHIKI KAISHA (JP) 2007-01-30 US disclosed
WO-2005121152-A1 SUBSTITUTED TRIAZOLE DERIVATIVES AS OXYTOCIN ANTAGONISTS PFIZER LIMITED (GB) 2005-12-22 WO 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-20070219216-A1 1-Alkylpiperazinyl-Pyrrolidin-2,5-Dione Derivatives as Adrenergic Receptor Antagonists ADRA1D, ADRA1A, ADRB1 ACHE 1897/4885HTR1A 49/4885SLC6A2 763/4885
US-20230109839-A1 THERAPEUTIC AGENT FOR TAUOPATHIES MAPT, PSEN1, PSEN2 ACHE 112/4885HTR1A 1690/4885SLC6A2 155/4885
US-20070185078-A1 Substituted triazole derivatives as oxytocin antagonists OXTR, AVPR2, AVPR1B ACHE 2173/4885HTR1A 92/4885SLC6A2 292/4885
US-20070027318-A1 Quinoline derivatives and quinazoline derivatives CYTH3, NQO2, NRAS ACHE 1609/4885HTR1A 2122/4885SLC6A2 1883/4885
US-20230364070-A1 PYRROLO[3,2-C]PYRIDIN-4-ONE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER ERBB2, EGFR, ERBB3 ACHE 4289/4885HTR1A 1058/4885SLC6A2 2635/4885
US-20070225317-A1 RSV POLYMERASE INHIBITORS POLR2E, POLR2H, POLR2A ACHE 4660/4885HTR1A 3279/4885SLC6A2 2126/4885

“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.