SCHEMBL18483362

SCHEMBL18483362

CCc1ccccc1-c1nccnc1-c1ccc(NC)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.38
▸ LIMK2 P53671 2/20 0.37
▸ TRPA1 O75762 1/20 0.36
▸ TRPV1 Q8NER1 4/20 0.36
▸ CCNT1 O60563 1/20 0.35
▸ CCNA2 P20248 1/20 0.35
▸ CDK2 P24941 1/20 0.35
▸ CDK9 P50750 1/20 0.35
▸ GFER P55789 1/20 0.35
▸ PTGS1 P23219 1/20 0.35
▸ PTGS2 P35354 1/20 0.35
▸ ALOX5AP P20292 1/20 0.34
▸ FEN1 P39748 1/20 0.34
▸ TSHR P16473 1/20 0.33
▸ GRM5 P41594 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ APP P05067 1/20 0.33
▸ GLA P06280 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ KMT2A Q03164 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
SCHEMBL29471016 0.82 ALOX5AP (0.41) ALDH1A1TRPA1CCNT1CCNA2CDK2
SCHEMBL18448568 0.82 ALOX5AP (0.41) ALDH1A1TRPA1CCNT1CCNA2CDK2
SCHEMBL26382734 0.78 ALDH1A1 (0.37) ALDH1A1TRPA1PTGS1PTGS2ALOX5AP
SCHEMBL18483171 0.77 IDO1 (0.45) ALDH1A1PTGS2MEN1KMT2A
SCHEMBL30549080 0.77 IDO1 (0.45) ALDH1A1PTGS2MEN1KMT2A
SCHEMBL29470979 0.75 NPSR1 (0.42) ALDH1A1
SCHEMBL25299970 0.74 DPP4 (0.42) ALDH1A1TRPA1GRM5MEN1GAA
SCHEMBL29471010 0.74 DPP4 (0.42) ALDH1A1TRPA1GRM5MEN1GAA
SCHEMBL22270835 0.74 KDR (0.42) ALDH1A1TRPV1CDK2PDE10A
SCHEMBL22271025 0.73 FFAR1 (0.37) ALOX5APFEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230312486-A1 POLYMORPHIC FORMS OF A ROR INHIBITING COMPOUND AND PROCESSES FOR ITS PREPARATION GLENMARK SPECIALTY S.A. (CH) 2023-10-05 — — US disclosed
WO-2021070150-A1 AN INHALABLE DRY POWDER COMPOSITION FOR PULMONARY DISEASES GLENMARK SPECIALTY S.A. (CH) 2021-04-15 — — WO disclosed
EP-3686187-A1 PROCESS FOR THE PREPARATION OF ROR GAMMA MODULATORS Glenmark Pharmaceuticals S.A. (CH) 2020-07-29 — — EP disclosed
WO-2017021879-A1 NOVEL COMPOUNDS AS ROR GAMMA MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2017-02-09 — — 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 (1 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-20230312486-A1 POLYMORPHIC FORMS OF A ROR INHIBITING COMPOUND AND PROCESSES FOR ITS PREPARATION RORA, RORB, RORC ALDH1A1 111/4885LIMK2 4079/4885TRPA1 767/4885

“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.

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