SCHEMBL3501274

SCHEMBL3501274

Cc1ccc(Br)c(N)c1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.46
CD44 P16070 1/20 0.40
ALDH1A1 P00352 7/20 0.38
NOS3 P29474 2/20 0.37
NOS2 P35228 2/20 0.37
MAPT P10636 4/20 0.37
LMNA P02545 2/20 0.37
GAA P10253 2/20 0.37
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP3A4 P08684 5/20 0.35
TSHR P16473 4/20 0.35
TDP1 Q9NUW8 3/20 0.35
CASP1 P29466 1/20 0.35
MAPK1 P28482 2/20 0.33
NPC1 O15118 1/20 0.33
CASP3 P42574 1/20 0.33

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
SCHEMBL1126073 0.82 MAPT (0.44) POLBALDH1A1MAPTGAAMEN1
SCHEMBL409314 0.82 POLB (0.61) POLBCD44ALDH1A1NOS3NOS2
SCHEMBL16071015 0.81 POLB (0.39) POLBCD44ALDH1A1NOS3NOS2
SCHEMBL21980637 0.81 POLB (0.44) POLBCD44ALDH1A1NOS3NOS2
SCHEMBL1198842 0.81 POLB (0.56) POLBCD44ALDH1A1NOS3NOS2
SCHEMBL11128206 0.81 POLB (0.44) POLBCD44ALDH1A1NOS3NOS2
SCHEMBL29863836 0.81 POLB (0.56) POLBCD44ALDH1A1NOS3NOS2
SCHEMBL1522319 0.79 CA2 (0.40) POLBCD44ALDH1A1LMNAKDM4E
Hydrochloric Acid SCHEMBL8125648 0.78 POLB (0.58) POLBCD44ALDH1A1NOS3NOS2
SCHEMBL14660455 0.77 POLB (0.41) POLBCD44ALDH1A1NOS3NOS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024248977-A1 PHOTOACTIVE COMPOUNDS FOR VAPOR DEPOSITED STABLE ORGANIC PHOTOVOLTAIC DEVICES UBIQUITOUS ENERGY, INC. (US) 2024-12-05 WO disclosed
US-12060347-B2 Bicyclic heteroaryl substituted compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2024-08-13 US disclosed
CN-109689647-B Bicyclic heteroaryl substituted compounds 百时美施贵宝公司 2023-01-20 CN disclosed
CN-107922394-B 3-tetrazolyl-benzene-1, 2-disulfonamide derivatives as metallo-beta-lactamase inhibitors 默沙东公司 2021-07-13 CN disclosed
US-20210163465-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2021-06-03 US disclosed
US-20210163465-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2021-06-03 US disclosed
EP-3313832-B1 3-TETRAZOLYL-BENZENE-1,2-DISULFONAMIDE DERIVATIVES AS METALLO-BETA-LACTAMASE INHIBITORS MERCK SHARP & DOHME (US) 2021-02-24 EP disclosed
EP-3484878-B1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2020-08-19 EP disclosed
US-10544130-B2 Metallo-beta-lactamase inhibitors MERCK SHARP & DOHME CORP. (US) 2020-01-28 US disclosed
CN-110627652-A Application of carbon nano tube embedded metal particle catalyst in reaction of synthesizing halogenated aniline by selective catalytic hydrogenation of halogenated nitrobenzene 浙江工业大学 2019-12-31 CN disclosed
WO-2016210215-A1 3-TETRAZOLYL-BENZENE-1,2-DISULFONAMIDE DERIVATIVES AS METALLO-BETA-LACTAMASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-12-29 WO disclosed
US-8822634-B2 Copolymer comprising anthracene and benzoselenadiazole, preparing method and uses thereof OCEAN'S KING LIGHTING SCIENCE & TECHNOLOGY CO., LTD. (CN) 2014-09-02 US disclosed
US-20130005933-A1 COPOLYMER COMPRISING ANTHRACENE AND BENZOSELENADIAZOLE, PREPARING METHOD AND USES THEREOF OCEAN' S KING LIGHTING SCIENCE & TECHNOLOGY CO., LTD. (CN) 2013-01-03 US disclosed
US-20100184601-A1 Method and Means Relating to Multiple Herbicide Resistance in Plants UNIVERSITY OF DURHAM (GB) 2010-07-22 US disclosed
EP-2190290-A2 METHOD AND MEANS RELATING TO MULTIPLE HERBICIDE RESISTANCE IN PLANTS University Of Durham (GB) 2010-06-02 EP disclosed
EP-1426392-B1 COMPOSITION FOR OPTICAL MATERIAL MITSUBISHI GAS CHEMICAL CO (JP) 2010-02-24 EP disclosed
WO-2009034396-A2 METHOD AND MEANS RELATING TO MULTIPLE HERBICIDE RESISTANCE IN PLANTS UNIVERSITY OF DURHAM (GB) 2009-03-19 WO disclosed
US-6960640-B2 Composition for optical material MITSUBISHI GAS CHEMICAL CO., LTD. (JP) 2005-11-01 US disclosed
US-20040147708-A1 Composition for optical material MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2004-07-29 US disclosed
EP-1426392-A1 COMPOSITION FOR OPTICAL MATERIAL MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2004-06-09 EP 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 (4 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-10544130-B2 Metallo-beta-lactamase inhibitors MLX, ZFX, MMP12 POLB 1974/4885CD44 2766/4885ALDH1A1 277/4885
US-12060347-B2 Bicyclic heteroaryl substituted compounds F2, F2RL3, F12 POLB 2406/4885CD44 4016/4885ALDH1A1 1598/4885
US-20100184601-A1 Method and Means Relating to Multiple Herbicide Resistance in Plants GSTO1, GSTP1, GSR POLB 2753/4885CD44 3428/4885ALDH1A1 431/4885
US-20210163465-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS F2, F2RL3, F12 POLB 2406/4885CD44 4016/4885ALDH1A1 1598/4885

“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.