SCHEMBL6629613

SCHEMBL6629613

C[CH]c1cccnc1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 1/20 0.46
APLNR P35414 1/20 0.44
NFE2L2 Q16236 5/20 0.43
BTK Q06187 1/20 0.40
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
GRM5 P41594 1/20 0.36
PDGFRB P09619 1/20 0.36
PDGFRA P16234 1/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
CHRNB4 P30926 2/20 0.36
CHRNA3 P32297 2/20 0.36
ALDH1A1 P00352 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
TRIM24 O15164 1/20 0.35

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
SCHEMBL25583864 0.84 NFE2L2 (0.44) IDH1APLNRNFE2L2BTKNPC1
SCHEMBL29953915 0.82 TRIM24 (0.52) IDH1APLNRNFE2L2BTKNPC1
SCHEMBL209651 0.82 TRIM24 (0.52) IDH1APLNRNFE2L2BTKNPC1
SCHEMBL28800617 0.82 IDH1 (0.44) IDH1APLNRNFE2L2BTKNPC1
SCHEMBL28151579 0.82 IDH1 (0.44) IDH1APLNRNFE2L2BTKNPC1
SCHEMBL23516654 0.82 IDH1 (0.44) IDH1APLNRNFE2L2BTKNPC1
SCHEMBL5463502 0.77 ALDH1A1 (0.48) IDH1APLNRNFE2L2BTKNPC1
SCHEMBL2161121 0.77 ALDH1A1 (0.48) IDH1APLNRNFE2L2BTKNPC1
SCHEMBL2161123 0.77 ALDH1A1 (0.48) IDH1APLNRNFE2L2BTKNPC1
SCHEMBL9000390 0.77 NFE2L2 (0.43) IDH1APLNRNFE2L2BTKNPC1

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11999717-B2 Triazole carbamate pyridyl sulfonamides as LPA receptor antagonists and uses thereof GILEAD SCIENCES, INC. (US) 2024-06-04 US disclosed
WO-2024071216-A1 PYRAZOLE COMPOUND AND PEST CONTROL AGENT CONTAINING SAME AS ACTIVE INGREDIENT 三井化学クロップ&ライフソリューション株式会社 2024-04-04 WO disclosed
WO-2023171783-A1 PYRAZOLE COMPOUND, AND NOXIOUS ORGANISM CONTROL AGENT CONTAINING SAME AS ACTIVE INGREDIENT 三井化学アグロ株式会社 2023-09-14 WO disclosed
US-20230212149-A1 TRIAZOLE CARBAMATE PYRIDYL SULFONAMIDES AS LPA RECEPTOR ANTAGONISTS AND USES THEREOF GILEAD SCIENCES, INC. 2023-07-06 US disclosed
US-11548871-B2 Triazole carbamate pyridyl sulfonamides as LPA receptor antagonists and uses thereof GILEAD SCIENCES, INC. (US) 2023-01-10 US disclosed
US-20210171500-A1 TRIAZOLE CARBAMATE PYRIDYL SULFONAMIDES AS LPA RECEPTOR ANTAGONISTS AND USES THEREOF GILEAD SCIENCES, INC. 2021-06-10 US disclosed
US-6737429-B2 TREATMENT OF HIV MEDIATED DISEASES. HOFFMANN-LA ROCHE INC. 2004-05-18 US disclosed
EP-1417202-A2 AMINOPIPERIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY F. HOFFMANN-LA ROCHE AG (CH) 2004-05-12 EP disclosed
US-6576765-B2 Process for preparing amic acid esters IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2003-06-10 US disclosed
EP-1301481-A1 PYRROLE DERIVATIVES FOR TREATING AIDS F. HOFFMANN-LA ROCHE AG (CH) 2003-04-16 EP disclosed
US-20030069276-A1 Amino piperidine derivatives F.HOFFMANN-LA ROCHE AG (CH) 2003-04-10 US disclosed
US-20030032667-A1 PROCESS FOR PREPARING AMIC ACID ESTERS IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2003-02-13 US disclosed
WO-2002079186-A2 AMINOPIPERIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY F. HOFFMANN-LA ROCHE AG (CH) 2002-10-10 WO disclosed
US-20020032221-A1 Pyrrole derivatives ROCHE PRODUCTS LIMITED (GB) 2002-03-14 US disclosed
EP-1182199-A1 PROCESS FOR PREPARING AMIC ACID ESTERS IHARA CHEMICAL INDUSTRY Co., Ltd. (JP) 2002-02-27 EP disclosed
WO-2002002524-A1 PYRROLE DERIVATIVES FOR TREATING AIDS F. HOFFMANN-LA ROCHE AG (CH) 2002-01-10 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 (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-11548871-B2 Triazole carbamate pyridyl sulfonamides as LPA receptor antagonists and uses thereof LPAR3, LPAR1, LPAR2 IDH1 3857/4885APLNR 160/4885NFE2L2 4702/4885
US-20030069276-A1 Amino piperidine derivatives CCR5, CCR2, CXCR4 IDH1 2071/4885APLNR 281/4885NFE2L2 1282/4885
US-20020032221-A1 Pyrrole derivatives PYCR1, SARS1, MAVS IDH1 771/4885APLNR 3290/4885NFE2L2 2630/4885
US-11999717-B2 Triazole carbamate pyridyl sulfonamides as LPA receptor antagonists and uses thereof LPAR3, LPAR1, LPAR2 IDH1 3857/4885APLNR 160/4885NFE2L2 4702/4885
US-20210171500-A1 TRIAZOLE CARBAMATE PYRIDYL SULFONAMIDES AS LPA RECEPTOR ANTAGONISTS AND USES THEREOF LPAR3, LPAR1, LPAR2 IDH1 3857/4885APLNR 160/4885NFE2L2 4702/4885
US-20030032667-A1 PROCESS FOR PREPARING AMIC ACID ESTERS MCCC2, EMC1, GANC IDH1 637/4885APLNR 3676/4885NFE2L2 3600/4885
US-20230212149-A1 TRIAZOLE CARBAMATE PYRIDYL SULFONAMIDES AS LPA RECEPTOR ANTAGONISTS AND USES THEREOF LPAR3, LPAR1, LPAR2 IDH1 3857/4885APLNR 160/4885NFE2L2 4702/4885

“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.