SCHEMBL858817

SCHEMBL858817

CSc1ccc(C(N)=O)cc1O

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AR P10275 15/20 0.57
LCK P06239 1/20 0.48
PARP1 P09874 2/20 0.42
KDM4E B2RXH2 1/20 0.40
BRD4 O60885 1/20 0.40
ALDH1A1 P00352 1/20 0.40
BRPF1 P55201 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL6516881 0.84 LCK (0.52) ARLCKPARP1KDM4EALDH1A1
SCHEMBL858842 0.81 TAS1R3 (0.55) ARPARP1
SCHEMBL28145875 0.81 LCK (0.48) ARLCKPARP1KDM4EALDH1A1
SCHEMBL858819 0.81 AR (0.54) ARPARP1KDM4EALDH1A1HSD17B10
SCHEMBL29503134 0.81 AR (0.54) ARLCKPARP1KDM4EBRD4
SCHEMBL24960102 0.79 AR (0.60) ARPARP1
SCHEMBL29503125 0.79 AR (0.53) ARPARP1
SCHEMBL7361541 0.78 CA1 (0.65) LCKKDM4EALDH1A1SMN1; SMN2HSD17B10
SCHEMBL30219271 0.77 AR (0.50) ARPARP1
SCHEMBL29503126 0.75 AR (0.49) ARALDH1A1

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 44 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 105/4885LCK 2100/4885PARP1 2/4885
US-20200297644-A1 INIPARIB FORMULATIONS AND USES THEREOF INPP5B, INPPL1, PARP3 AR 56/4885LCK 2955/4885PARP1 12/4885
US-20080103208-A1 INHIBITION OF FATTY ACID SYNTHESIS BY PARP INHIBITORS AND METHODS OF TREATMENT THEREOF PARP2, PARP12, PARP3 AR 693/4885LCK 2630/4885PARP1 6/4885
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 1190/4885LCK 4106/4885PARP1 2/4885
US-20120130144-A1 TREATMENT OF LUNG CANCER WITH A NITROBENZAMIDE COMPOUND IN COMBINATION WITH A GROWTH FACTOR INHIBITOR PARP2, PARP12, PARP15 AR 1551/4885LCK 1231/4885PARP1 4/4885
US-20120269861-A1 TREATMENT OF BREAST CANCER WITH IODONITROBENZAMIDES IN COMBINATION WITH ANTI-TUMOR AGENTS ERBB2, EGFR, ERBB3 AR 62/4885LCK 58/4885PARP1 1746/4885
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 3497/4885LCK 1260/4885PARP1 589/4885
US-20080103104-A1 TREATMENT OF CANCER PARP1, PARP2, PARP3 AR 964/4885LCK 2246/4885PARP1 1/4885
US-20130274281-A1 METHODS OF TREATING METASTATIC BREAST CANCER WITH 4-IODO-3-NITROBENZAMIDE AND IRINOTECAN TOP2B, TOP2A, TOP1 AR 4080/4885LCK 929/4885PARP1 1456/4885
US-20120238601-A1 TREATMENT OF CANCER PARP1, PARP2, PARP3 AR 964/4885LCK 2246/4885PARP1 1/4885

“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.