SCHEMBL858819

SCHEMBL858819

CSc1ccc(C(N)=O)cc1N

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AR P10275 15/20 0.54
KDM4E B2RXH2 3/20 0.45
ALDH1A1 P00352 3/20 0.45
HSD17B10 Q99714 2/20 0.45
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
MAPK1 P28482 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
PARP1 P09874 1/20 0.41

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
SCHEMBL7435247 0.85 KDM4E (0.57) ARKDM4EALDH1A1HSD17B10LMNA
SCHEMBL6516194 0.84 ALDH1A1 (0.46) ARKDM4EALDH1A1HSD17B10LMNA
SCHEMBL27930539 0.81 KDM4E (0.41) ARKDM4EALDH1A1HSD17B10LMNA
SCHEMBL858817 0.81 AR (0.57) ARKDM4EALDH1A1HSD17B10PARP1
SCHEMBL858842 0.81 TAS1R3 (0.55) ARPARP1
SCHEMBL29503134 0.81 AR (0.54) ARKDM4EALDH1A1HSD17B10PARP1
SCHEMBL7360846 0.80 KDM4E (0.64) KDM4EALDH1A1HSD17B10LMNAMAPT
SCHEMBL24960102 0.79 AR (0.60) ARPARP1
SCHEMBL29503125 0.79 AR (0.53) ARPARP1
SCHEMBL30219271 0.77 AR (0.50) ARMAPTTDP1PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200297644-A1 INIPARIB FORMULATIONS AND USES THEREOF TRIACT THERAPEUTICS, INC. 2020-09-24 US 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
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
US-20120269861-A1 TREATMENT OF BREAST CANCER WITH IODONITROBENZAMIDES IN COMBINATION WITH ANTI-TUMOR AGENTS BIPAR SCIENCES, INC. (US) 2012-10-25 US disclosed
US-20120269861-A1 TREATMENT OF BREAST CANCER WITH IODONITROBENZAMIDES IN COMBINATION WITH ANTI-TUMOR AGENTS BIPAR SCIENCES, INC. (US) 2012-10-25 US disclosed
US-20120245117-A1 METHODS OF TREATING SQUAMOUS CELL LUNG CANCER WITH 4-IODO-3-NITROBENZAMIDE IN COMBINATION WITH GEMCITABINE AND CARBOPLATIN BIPAR SCIENCES, INC. 2012-09-27 US disclosed
US-20120245117-A1 METHODS OF TREATING SQUAMOUS CELL LUNG CANCER WITH 4-IODO-3-NITROBENZAMIDE IN COMBINATION WITH GEMCITABINE AND CARBOPLATIN BIPAR SCIENCES, INC. 2012-09-27 US disclosed
US-20120238601-A1 TREATMENT OF CANCER BIPAR SCIENCES, INC. (US) 2012-09-20 US disclosed
US-20120238601-A1 TREATMENT OF CANCER BIPAR SCIENCES, INC. (US) 2012-09-20 US disclosed
US-20120130144-A1 TREATMENT OF LUNG CANCER WITH A NITROBENZAMIDE COMPOUND IN COMBINATION WITH A GROWTH FACTOR INHIBITOR BIPAR SCIENCES, INC. (US) 2012-05-24 US disclosed
US-20090131529-A1 Poly/ADP-Ribose/polymerase inhibitors (PARP); administering 4-iodo-3-nitrobenzamide, gemcitabine, and carboplatin; gene therapy BIPAR SCIENCES 2009-05-21 US disclosed
US-20090131529-A1 Poly/ADP-Ribose/polymerase inhibitors (PARP); administering 4-iodo-3-nitrobenzamide, gemcitabine, and carboplatin; gene therapy BIPAR SCIENCES 2009-05-21 US disclosed
US-20090123419-A1 TREATMENT OF UTERINE CANCER AND OVARIAN CANCER WITH A PARP INHIBITOR ALONE OR IN COMBINATION WITH ANTI-TUMOR AGENTS BIPAR SCIENCES 2009-05-14 US disclosed
US-20090123419-A1 TREATMENT OF UTERINE CANCER AND OVARIAN CANCER WITH A PARP INHIBITOR ALONE OR IN COMBINATION WITH ANTI-TUMOR AGENTS BIPAR SCIENCES 2009-05-14 US disclosed
US-20080103104-A1 TREATMENT OF CANCER BIPAR SCIENCES, INC. (US) 2008-05-01 US disclosed
US-20080103104-A1 TREATMENT OF CANCER BIPAR SCIENCES, INC. (US) 2008-05-01 US disclosed
US-20080103208-A1 INHIBITION OF FATTY ACID SYNTHESIS BY PARP INHIBITORS AND METHODS OF TREATMENT THEREOF BIPAR SCIENCES, INC. (US) 2008-05-01 US disclosed
US-20080103208-A1 INHIBITION OF FATTY ACID SYNTHESIS BY PARP INHIBITORS AND METHODS OF TREATMENT THEREOF BIPAR SCIENCES, INC. (US) 2008-05-01 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

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

For each of this compound's patents that has machine-readable text (10 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-20090131529-A1 Poly/ADP-Ribose/polymerase inhibitors (PARP); administering 4-iodo-3-nitrobenzamide, gemcitabine, and carboplatin; gene therapy PARP2, PARP1, PARP3 AR 105/4885KDM4E 3053/4885ALDH1A1 612/4885
US-20200297644-A1 INIPARIB FORMULATIONS AND USES THEREOF INPP5B, INPPL1, PARP3 AR 56/4885KDM4E 3120/4885ALDH1A1 1362/4885
US-20080103208-A1 INHIBITION OF FATTY ACID SYNTHESIS BY PARP INHIBITORS AND METHODS OF TREATMENT THEREOF PARP2, PARP12, PARP3 AR 693/4885KDM4E 1356/4885ALDH1A1 349/4885
US-20090123419-A1 TREATMENT OF UTERINE CANCER AND OVARIAN CANCER WITH A PARP INHIBITOR ALONE OR IN COMBINATION WITH ANTI-TUMOR AGENTS PARP2, PARP1, PARP3 AR 1190/4885KDM4E 564/4885ALDH1A1 543/4885
US-20120130144-A1 TREATMENT OF LUNG CANCER WITH A NITROBENZAMIDE COMPOUND IN COMBINATION WITH A GROWTH FACTOR INHIBITOR PARP2, PARP12, PARP15 AR 1551/4885KDM4E 1002/4885ALDH1A1 484/4885
US-20120269861-A1 TREATMENT OF BREAST CANCER WITH IODONITROBENZAMIDES IN COMBINATION WITH ANTI-TUMOR AGENTS ERBB2, EGFR, ERBB3 AR 62/4885KDM4E 2001/4885ALDH1A1 932/4885
US-20120245117-A1 METHODS OF TREATING SQUAMOUS CELL LUNG CANCER WITH 4-IODO-3-NITROBENZAMIDE IN COMBINATION WITH GEMCITABINE AND CARBOPLATIN IDH3B, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, IDH1 AR 3497/4885KDM4E 3405/4885ALDH1A1 154/4885
US-20080103104-A1 TREATMENT OF CANCER PARP1, PARP2, PARP3 AR 964/4885KDM4E 1377/4885ALDH1A1 794/4885
US-20130274281-A1 METHODS OF TREATING METASTATIC BREAST CANCER WITH 4-IODO-3-NITROBENZAMIDE AND IRINOTECAN TOP2B, TOP2A, TOP1 AR 4080/4885KDM4E 3666/4885ALDH1A1 1190/4885
US-20120238601-A1 TREATMENT OF CANCER PARP1, PARP2, PARP3 AR 964/4885KDM4E 1377/4885ALDH1A1 794/4885

“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.