SCHEMBL435829

SCHEMBL435829

NC(=O)c1ccc(I)c(N)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 7/20 0.55
ALDH1A1 P00352 3/20 0.45
HSD17B10 Q99714 3/20 0.45
KDM4E B2RXH2 2/20 0.45
LCK P06239 1/20 0.44
TSHR P16473 2/20 0.41
MAPT P10636 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NNMT P40261 1/20 0.41
PARP10 Q53GL7 3/20 0.40
PARP15 Q460N3 2/20 0.40
PARP14 Q460N5 2/20 0.40
KMT2A Q03164 1/20 0.40
PARP16 Q8N5Y8 1/20 0.40
PARP11 Q9NR21 1/20 0.40
PARP4 Q9UKK3 1/20 0.40
POLB P06746 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL433377 0.83 CDC25B (0.50) ALDH1A1HSD17B10KDM4ETSHRMAPT
SCHEMBL1629983 0.83 PARP1 (0.50) PARP1ALDH1A1HSD17B10KDM4ELCK
SCHEMBL10249696 0.82 PARP1 (0.58) PARP1ALDH1A1HSD17B10KDM4ELCK
SCHEMBL7109398 0.81 PRKCI (0.56) ALDH1A1HSD17B10KDM4EMAPTTDP1
SCHEMBL8412857 0.79 ALDH1A1 (0.49) PARP1ALDH1A1HSD17B10KDM4ELCK
SCHEMBL1428434 0.79 ALDH1A1 (0.49) PARP1ALDH1A1HSD17B10KDM4ELCK
SCHEMBL858826 0.78 PARP1 (0.55) PARP1ALDH1A1HSD17B10KDM4ELCK
SCHEMBL20987786 0.78 ALDH1A1 (0.50) ALDH1A1HSD17B10KDM4ELCKSMN1; SMN2
SCHEMBL19996930 0.78 HDAC1 (0.41) PARP1ALDH1A1HSD17B10KDM4EMAPT
Hydrochloric Acid SCHEMBL2954473 0.77 ALDH1A1 (0.47) PARP1ALDH1A1HSD17B10KDM4ELCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-11628144-B2 Iniparib formulations and uses thereof TRIACT THERAPEUTICS, INC. (US) 2023-04-18 US disclosed
US-20200297644-A1 INIPARIB FORMULATIONS AND USES THEREOF TRIACT THERAPEUTICS, INC. 2020-09-24 US disclosed
EP-3687501-A1 INIPARIB FORMULATIONS AND USES THEREOF Triact Therapeutics, Inc. (US) 2020-08-05 EP disclosed
EP-3654958-A1 METHODS OF PATIENT SELECTION AND TREATING TRXR- OR PRDX-OVEREXPRESSED CANCERS Triact Therapeutics, Inc. (US) 2020-05-27 EP disclosed
US-20200113852-A1 METHODS OF PATIENT SELECTION AND TREATING TRXR- OR PRDX-OVEREXPRESSED CANCERS TRIACT THERAPEUTICS, INC. 2020-04-16 US disclosed
WO-2019067991-A1 INIPARIB FORMULATIONS AND USES THEREOF TRIACT THERAPEUTICS, INC. (US) 2019-04-04 WO disclosed
WO-2018237344-A1 METHODS OF PATIENT SELECTION AND TREATING TRXR- OR PRDX-OVEREXPRESSED CANCERS TRIACT THERAPEUTICS, INC. (US) 2018-12-27 WO disclosed
US-20130274281-A1 METHODS OF TREATING METASTATIC BREAST CANCER WITH 4-IODO-3-NITROBENZAMIDE AND IRINOTECAN BIPAR SCIENCES, INC. (US) 2013-10-17 US disclosed
WO-2008030891-A2 INHIBITION OF FATTY ACID SYNTHESIS BY PARP INHIBITORS AND METHODS OF TREATMENT THEREOF BIPAR SCIENCES, INC. (US) 2008-03-13 WO disclosed
WO-2008030883-A2 TREATMENT OF CANCER BIPAR SCIENCES, INC. (US) 2008-03-13 WO disclosed
US-5877185-A THERAPY FOR CANCER OR RETROVIRUS OCTAMER, INC. (US) 1999-03-02 US disclosed
EP-0698019-B1 NOVEL AROMATIC NITRO COMPOUNDS AND THEIR METABOLITES USEFUL AS ANTI-VIRAL AND ANTI-TUMOR AGENTS OCTAMER INC (US) 1998-08-05 EP disclosed
US-5652367-A ANTICANCER AGENTS OCTAMER, INC. 1997-07-29 US disclosed
WO-1996022791-A9 NOVEL SYNERGISTIC COMPOSITIONS USEFUL AS ANTI-TUMOR OR ANTI-RETROVIRAL AGENTS 1996-10-03 WO disclosed
WO-1996022791-A1 NOVEL SYNERGISTIC COMPOSITIONS USEFUL AS ANTI-TUMOR OR ANTI-RETROVIRAL AGENTS OCTAMER, INC. (US) 1996-08-01 WO disclosed
EP-0698019-A1 NOVEL AROMATIC NITRO COMPOUNDS AND THEIR METABOLITES USEFUL AS ANTI-VIRAL AND ANTI-TUMOR AGENTS OCTAMER, INC. (US) 1996-02-28 EP disclosed
US-5464871-A Aromatic amides OCTAMER, INC. (US) 1995-11-07 US disclosed
WO-1994026730-A2 NOVEL AROMATIC NITRO AND NITROSO COMPOUNDS AND THEIR METABOLITES USEFUL AS ANTI-VIRAL AND ANTI-TUMOR AGENTS OCTAMER, INC. (US) 1994-11-24 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 (5 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-20200297644-A1 INIPARIB FORMULATIONS AND USES THEREOF INPP5B, INPPL1, PARP3 PARP1 12/4885ALDH1A1 1362/4885HSD17B10 4227/4885
US-20200113852-A1 METHODS OF PATIENT SELECTION AND TREATING TRXR- OR PRDX-OVEREXPRESSED CANCERS PRDX3, PRDX6, PRDX1 PARP1 1090/4885ALDH1A1 457/4885HSD17B10 982/4885
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 PARP1 92/4885ALDH1A1 3441/4885HSD17B10 1696/4885
US-11628144-B2 Iniparib formulations and uses thereof INPP5B, INPPL1, PARP3 PARP1 12/4885ALDH1A1 1362/4885HSD17B10 4227/4885
US-20130274281-A1 METHODS OF TREATING METASTATIC BREAST CANCER WITH 4-IODO-3-NITROBENZAMIDE AND IRINOTECAN TOP2B, TOP2A, TOP1 PARP1 1456/4885ALDH1A1 1190/4885HSD17B10 906/4885

“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.