SCHEMBL203756

SCHEMBL203756

COc1ccc2nc(CBr)ccc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.57
NQO1 P15559 1/20 0.54
PDE10A Q9Y233 6/20 0.49
CYP1A2 P05177 3/20 0.46
CYP2A6 P11509 1/20 0.46
HDAC1 Q13547 2/20 0.45
HDAC2 Q92769 2/20 0.45
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 2/20 0.44
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.44
NQO2 P16083 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CYP2E1 P05181 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C8 P10632 1/20 0.44

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
SCHEMBL202174 0.88 ALDH1A1 (0.47) NCF1NQO1PDE10ACYP1A2CYP2A6
SCHEMBL27596905 0.87 NCF1 (0.54) NCF1NQO1PDE10ACYP1A2CYP2A6
SCHEMBL7835368 0.84 NCF1 (0.59) NCF1NQO1PDE10ACYP1A2CYP2A6
SCHEMBL3894001 0.83 NCF1 (0.54) NCF1NQO1PDE10ACYP1A2CYP2A6
Ammonia Solution, Strong SCHEMBL28426316 0.83 NCF1 (0.57) NCF1NQO1PDE10ACYP1A2CYP2A6
SCHEMBL4849365 0.83 NCF1 (0.57) NCF1NQO1PDE10ACYP1A2CYP2A6
SCHEMBL28254830 0.83 NCF1 (0.62) NCF1NQO1PDE10ACYP1A2CYP2A6
SCHEMBL7808259 0.83 NCF1 (0.57) NCF1NQO1PDE10ACYP1A2CYP2A6
SCHEMBL14127808 0.81 NCF1 (0.56) NCF1NQO1PDE10ACYP1A2CYP2A6
SCHEMBL9736796 0.80 NQO1 (0.55) NCF1NQO1PDE10ACYP1A2CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250179008-A1 ANTIBACTERIAL AGENTS TAXIS PHARMACEUTICALS, INC. (US) 2025-06-05 US disclosed
US-12050224-B2 Compounds useful as near-infrared fluorescent probes selectively binding to tau aggregates and method of preparing the same KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2024-07-30 US disclosed
US-20210255203-A1 NOVEL COMPOUNDS USEFUL AS NEAR-INFRARED FLUORESCENT PROBES SELECTIVELY BINDING TO TAU AGGREGATES AND METHOD OF PREPARING THE SAME KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2021-08-19 US disclosed
US-20150191420-A1 ANTIBACTERIAL AGENTS TAXIS PHARMACEUTICALS, INC. 2015-07-09 US disclosed
US-20150191420-A1 ANTIBACTERIAL AGENTS TAXIS PHARMACEUTICALS, INC. 2015-07-09 US disclosed
US-8865736-B2 Antibacterial agents Biota Scientific Pty Ltd (AU) 2014-10-21 US disclosed
US-20130072520-A2 ANTIBACTERIAL AGENTS BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2013-03-21 US disclosed
US-20120122918-A1 ANTIBACTERIAL AGENTS BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2012-05-17 US disclosed
US-20120122918-A1 ANTIBACTERIAL AGENTS BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2012-05-17 US disclosed
US-8088791-B2 Antibacterial agents Biots Scientific Management Pty Ltd (AU) 2012-01-03 US disclosed
EP-0399818-B1 Diarylstyrylquinoline diacids MERCK FROSST CANADA INC (CA) 1995-08-16 EP disclosed
US-5434186-A Antiinflammatory agents HOFFMANN-LA ROCHE INC. (US) 1995-07-18 US disclosed
US-5273999-A A 4-keto-boroalkyleneoxychroman or 2,3-dihydrobenzofuran derivative HOFFMANN-LA ROCHE INC. (US) 1993-12-28 US disclosed
US-5232916-A Inhibitors of leukotriene synthesis MERCK FROSST CANADA, INC. (CA) 1993-08-03 US disclosed
US-5204358-A Antiallergens; antiinflammatory agents; treatment of asthma, rhinitis, bronchitis and skin diseases MERCK FROSST CANADA, INC. (CA) 1993-04-20 US disclosed
EP-0531823-A1 Bicyclic carboxylic acid derivatives as anti-inflammatory agents F. HOFFMANN-LA ROCHE AG (CH) 1993-03-17 EP disclosed
US-5104882-A Leukotriene antagonists MERCK FROSST CANADA, INC. (CA) 1992-04-14 US disclosed
US-5102881-A Leukotriene biosynthesis inhibitor MERCK FROSST CANADA, INC. (CA) 1992-04-07 US disclosed
EP-0399818-A1 Diarylstyrylquinoline diacids MERCK FROSST CANADA INC. (CA) 1990-11-28 EP disclosed
EP-0349062-A1 Quinoline ether alkanoic acid MERCK FROSST CANADA INC. (CA) 1990-01-03 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 (6 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-20120122918-A1 ANTIBACTERIAL AGENTS ALK, ROS1, ARG1 NCF1 1910/4885NQO1 2433/4885PDE10A 3943/4885
US-20130072520-A2 ANTIBACTERIAL AGENTS ALK, ROS1, NOX1 NCF1 974/4885NQO1 345/4885PDE10A 4370/4885
US-12050224-B2 Compounds useful as near-infrared fluorescent probes selectively binding to tau aggregates and method of preparing the same MAPT, PSEN1, PSEN2 NCF1 1700/4885NQO1 2397/4885PDE10A 4302/4885
US-20150191420-A1 ANTIBACTERIAL AGENTS ALK, ARG1, ROS1 NCF1 784/4885NQO1 1329/4885PDE10A 3940/4885
US-20210255203-A1 NOVEL COMPOUNDS USEFUL AS NEAR-INFRARED FLUORESCENT PROBES SELECTIVELY BINDING TO TAU AGGREGATES AND METHOD OF PREPARING THE SAME MAPT, PSEN1, PSEN2 NCF1 1690/4885NQO1 2775/4885PDE10A 4284/4885
US-20250179008-A1 ANTIBACTERIAL AGENTS ALK, ROS1, NOX1 NCF1 974/4885NQO1 345/4885PDE10A 4370/4885

“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.