SCHEMBL3527439

SCHEMBL3527439

COc1ccc(C)c(Br)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.48
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
CA7 P43166 2/20 0.48
CA9 Q16790 2/20 0.48
CA14 Q9ULX7 2/20 0.48
ACHE P22303 2/20 0.46
TUBB1 Q9H4B7 2/20 0.45
CYP1A2 P05177 1/20 0.44
CYP2A6 P11509 1/20 0.44
MAPT P10636 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
ALOX5 P09917 1/20 0.42
PTGS1 P23219 1/20 0.42
PTGS2 P35354 1/20 0.42
TUBB4A P04350 1/20 0.42
TUBB P07437 1/20 0.42
TUBA3C P0DPH7 1/20 0.42
TUBA1B P68363 1/20 0.42

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
SCHEMBL29427042 1.00 CA12 (0.48) CA12CA1CA2CA7CA9
SCHEMBL30294336 0.83 MAPT (0.54) CA12CA1CA2CA7CA9
SCHEMBL838442 0.83 MAPT (0.54) CA12CA1CA2CA7CA9
SCHEMBL1257369 0.81 MAPT (0.53) CA12CA1CA2CA7CA9
SCHEMBL83318 0.79 CA12 (0.53) CA12CA1CA2CA7CA9
SCHEMBL29352597 0.79 CA12 (0.53) CA12CA1CA2CA7CA9
SCHEMBL30250475 0.79 CA1 (0.53) CA12CA1CA2CA7CA9
SCHEMBL1134723 0.79 CA1 (0.53) CA12CA1CA2CA7CA9
SCHEMBL29493423 0.79 MAPT (0.39) TUBB1MAPTNPC1RAB9AKDM4E
SCHEMBL6566335 0.79 MAPT (0.39) TUBB1MAPTNPC1RAB9AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12559506-B2 Indazole based compounds and associated methods of use ARVINAS OPERATIONS, INC. (US) 2026-02-24 US disclosed
US-20250257049-A1 HETEROCYCLIC COMPOUNDS AS MODULATORS OF MGLUR7 PRAGMA THERAPEUTICS (FR) 2025-08-14 US disclosed
US-20250179075-A1 MK2 DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2025-06-05 US disclosed
WO-2025098417-A1 SULFONAMIDE COMPOUND AND USE THEREOF 再和医药科技(苏州)有限公司 2025-05-15 WO disclosed
US-12234218-B2 Heterocyclic compounds as modulators of mGluR7 PRAGMA THERAPEUTICS (FR) 2025-02-25 US disclosed
CN-111148744-B Novel heterocyclic compounds as MGLUR7 modulators 布拉格玛治疗公司 2025-02-14 CN disclosed
US-20240360152-A1 INDAZOLE BASED COMPOUNDS AND ASSOCIATED METHODS OF USE ARVINAS OPERATIONS, INC. 2024-10-31 US disclosed
EP-4217062-B1 CYCLOBUTYL AMIDE MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2024-10-09 EP disclosed
US-20240208902-A1 CYCLOBUTYL AMIDE MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2024-06-27 US disclosed
WO-2024115641-A1 NONCOVALENT KEAP1-NRF2 SMALL-MOLECULE INHIBITORS UNIVERSITY OF COPENHAGEN (DK) 2024-06-06 WO disclosed
WO-2000077010-A2 SUBSTITUTED HETEROCYCLE FUSED GAMMA-CARBOLINES DU PONT PHARMACEUTICALS COMPANY (US) 2000-12-21 WO disclosed
EP-1035114-A2 Nitrogen-heterocyclic compounds and process for production thereof TOSOH CORPORATION (JP) 2000-09-13 EP disclosed
US-RE36256-E ADMINISTERING ARYL-SUBSTITUTED QUINOXALINE DERIVATIVES AS ANTIPROLIFERATIVE, ANTICARCINOGENIC AND ANTITUMOR AGENTS RHONE-POULENC RORER PHARMACEUTICALS, INC. (US) 1999-07-20 US disclosed
US-5795889-A INHIBITING CELL GROWTH WITH ENZYME INHIBITORS FOR SKIN DISORDERS RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1998-08-18 US disclosed
US-5656643-A QUINOLIN PYRIDINE DERIVATIVES; USEFUL FOR TREATING CANCER, LEKEMIA, PSORIASIS, INFLAMMATORY DISODERS, BONE DISORDERS, ATHEROSCLEROSIS AND RESTENOSIS; CONTROLLS CELLULAR REPRODUCTION RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1997-08-12 US disclosed
US-5646153-A INHIBITING ABNORMAL CELL PROLIFERATION RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1997-07-08 US disclosed
US-5480883-A Bis mono- and bicyclic aryl and heteroaryl compounds which inhibit EGF and/or PDGF receptor tyrosine kinase RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1996-01-02 US disclosed
US-5409930-A Inhibits abnoramal cell proliferation; dimethoxyquinoline/ dimethylquinoline/ quinolineoxide/ and quinoxaline derivatives RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1995-04-25 US disclosed
WO-1992020642-A1 BIS MONO-AND BICYCLIC ARYL AND HETEROARYL COMPOUNDS WHICH INHIBIT EGF AND/OR PDGF RECEPTOR TYROSINE KINASE RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1992-11-26 WO disclosed
US-4419517-A ANALGESICS E. I. DU PONT DE NEMOURS & CO. (US) 1983-12-06 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 (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-20250257049-A1 HETEROCYCLIC COMPOUNDS AS MODULATORS OF MGLUR7 GRM7, GRM1, GRM2 CA12 4339/4885CA1 2025/4885CA2 1911/4885
US-20240360152-A1 INDAZOLE BASED COMPOUNDS AND ASSOCIATED METHODS OF USE LRRK2, CRBN, MDM2 CA12 4822/4885CA1 4169/4885CA2 4388/4885
US-12559506-B2 Indazole based compounds and associated methods of use LRRK2, CRBN, CLK2 CA12 4659/4885CA1 4104/4885CA2 3206/4885
US-12234218-B2 Heterocyclic compounds as modulators of mGluR7 GRM7, GRM1, GRM2 CA12 4339/4885CA1 2025/4885CA2 1911/4885
US-20240208902-A1 CYCLOBUTYL AMIDE MONOACYLGLYCEROL LIPASE MODULATORS MGLL, LPL, PNLIP CA12 2885/4885CA1 2357/4885CA2 2654/4885
US-20250179075-A1 MK2 DEGRADERS AND USES THEREOF MKNK2, MKRN3, DUS2 CA12 1453/4885CA1 3568/4885CA2 2848/4885

“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.