SCHEMBL983160

SCHEMBL983160

O=C(Cl)c1cc(Br)cnc1Cl

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PLAU P00749 2/20 0.37
ALDH1A1 P00352 2/20 0.34
POLB P06746 1/20 0.34
HCAR2 Q8TDS4 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ELANE P08246 1/20 0.34
SORT1 Q99523 1/20 0.34
KDR P35968 1/20 0.34
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPT P10636 1/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CASP1 P29466 1/20 0.33
OPRK1 P41145 2/20 0.32
ALPL P05186 1/20 0.32
EGFR P00533 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL427374 0.84 SMN1; SMN2 (0.46) PLAUALDH1A1POLBHCAR2KDM4E
SCHEMBL4492180 0.82 CASP1 (0.49) PLAUKDM4EHTTKMT2AMAPT
SCHEMBL4482054 0.82 SMN1; SMN2 (0.44) PLAUALDH1A1POLBHCAR2KDM4E
SCHEMBL30036961 0.82 CASP1 (0.49) PLAUKDM4EHTTKMT2AMAPT
SCHEMBL1600624 0.82 OPRK1 (0.42) PLAUALDH1A1KDRHTTSMN1; SMN2
Hydrochloric Acid SCHEMBL21457860 0.82 SMN1; SMN2 (0.44) PLAUALDH1A1POLBHCAR2KDM4E
SCHEMBL4482052 0.81 CSNK2A1 (0.35) PLAUALDH1A1POLBHCAR2KDM4E
SCHEMBL1160933 0.79 HCAR2 (0.36) PLAUALDH1A1HCAR2KDRHTT
SCHEMBL29608609 0.79 HCAR2 (0.36) PLAUALDH1A1HCAR2KDRHTT
SCHEMBL21815554 0.78 ALDH1A1 (0.35) PLAUALDH1A1POLBHCAR2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12421226-B2 Heteroaryl compounds as necrosis inhibitors, composition and method using the same ACCRO BIOSCIENCE (HK) LIMITED (HK) 2025-09-23 US disclosed
WO-2025007784-A1 HETEROAROMATIC RING COMPOUND, PHARMACEUTICAL COMPOSITION, PREPARATION METHOD THEREFOR AND USE THEREOF 四川科伦博泰生物医药股份有限公司 2025-01-09 WO disclosed
US-11629132-B2 Compounds for inducing proliferation and differentiation of cells, and methods of use thereof THE BROAD INSTITUTE, INC. (US) 2023-04-18 US disclosed
CN-110049975-B Process for the preparation of 5- (1-phenyl-1H-pyrazol-4-yl) nicotinamide derivatives 拜耳作物科学股份公司 2023-01-31 CN disclosed
US-20220112188-A1 HETEROARYL COMPOUNDS AS NECROSIS INHIBITORS, COMPOSITION AND METHOD USING THE SAME ACCRO BIOSCIENCE (HK) LIMITED (HK) 2022-04-14 US disclosed
EP-3908277-A1 HETEROARYL COMPOUNDS AS NECROSIS INHIBITORS, COMPOSITION AND METHOD USING THE SAME Zhang, Xiaohu (CN) 2021-11-17 EP disclosed
US-10981888-B2 Preparation method for tricyclic compounds BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2021-04-20 US disclosed
WO-2020146858-A1 HETEROARYL COMPOUNDS AS NECROSIS INHIBITORS, COMPOSITION AND METHOD USING THE SAME ACCRO BIOSCIENCE INC. (KY) 2020-07-16 WO disclosed
WO-2020146858-A1 HETEROARYL COMPOUNDS AS NECROSIS INHIBITORS, COMPOSITION AND METHOD USING THE SAME ACCRO BIOSCIENCE INC. (KY) 2020-07-16 WO disclosed
US-20190315707-A1 PREPARATION METHOD FOR TRICYCLIC COMPOUNDS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-10-17 US disclosed
WO-2004026875-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2004-04-01 WO disclosed
US-6706706-B2 FOR PREVENTING PERINATAL TRANSMISSION OF HIV-1 FROM MOTHER TO BABY AND TREATING HIV INFECTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2004-03-16 US disclosed
US-20030195197-A1 Non-nucleoside reverse transcriptase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2003-10-16 US disclosed
WO-2003080612-A1 DIPYRIDODIAZEPINONES AS REVERSE TRANSCRIPTASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2003-10-02 WO disclosed
CN-1436189-A Non-nucleoside reverse transcriptase inhibitors BOEHRINGER INGELHEIM CA LTD (CA) 2003-08-13 CN disclosed
EP-1294720-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2003-03-26 EP disclosed
US-6420359-B1 5,11-Dihydro-11-ethyl-5-methyl-8-(2-((1-oxido-4-quinolinyl)oxy)ethyl)-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one for example; antiviral agents for HIV infection BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2002-07-16 US disclosed
US-20020028807-A1 Non-nucleoside reverse transcriptase inhibitors BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2002-03-07 US disclosed
WO-2001096338-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2001-12-20 WO disclosed
US-5034531-A Viricides SCHERING CORPORATION (US) 1991-07-23 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 (7 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-12421226-B2 Heteroaryl compounds as necrosis inhibitors, composition and method using the same TNF, LITAF, PNLIP PLAU 1430/4885ALDH1A1 2865/4885POLB 951/4885
US-20030195197-A1 Non-nucleoside reverse transcriptase inhibitors RCOR1, POLR2H, CCR4 PLAU 4524/4885ALDH1A1 527/4885POLB 72/4885
US-11629132-B2 Compounds for inducing proliferation and differentiation of cells, and methods of use thereof MKI67, MCL1, CD14 PLAU 1736/4885ALDH1A1 638/4885POLB 2907/4885
US-10981888-B2 Preparation method for tricyclic compounds CYP4B1, CYP3A4, CYP1A1 PLAU 2905/4885ALDH1A1 310/4885POLB 724/4885
US-20190315707-A1 PREPARATION METHOD FOR TRICYCLIC COMPOUNDS CYP4B1, CYP3A4, CYP1A1 PLAU 2905/4885ALDH1A1 310/4885POLB 724/4885
US-20220112188-A1 HETEROARYL COMPOUNDS AS NECROSIS INHIBITORS, COMPOSITION AND METHOD USING THE SAME TNF, LITAF, PNLIP PLAU 1430/4885ALDH1A1 2865/4885POLB 951/4885
US-20020028807-A1 Non-nucleoside reverse transcriptase inhibitors REV1, POLR2H, POLR2E PLAU 4312/4885ALDH1A1 1770/4885POLB 11/4885

“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.