SCHEMBL18003149

SCHEMBL18003149

OCc1cccc(COCc2ccc(C(F)(F)F)cc2)n1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.44
MMP12 P39900 2/20 0.42
MMP1 P03956 1/20 0.42
NOTUM Q6P988 2/20 0.41
MAOB P27338 6/20 0.40
KMT2A Q03164 1/20 0.39
TRPV1 Q8NER1 1/20 0.38
TACR1 P25103 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.38
AR P10275 1/20 0.37
GHSR Q92847 1/20 0.37
TRPV3 Q8NET8 1/20 0.36

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
SCHEMBL21945101 0.87 TACR1 (0.50) IDO1NOTUMTACR1TRPV3
SCHEMBL18003273 0.82 IDO1 (0.44) IDO1MMP12MMP1MAOBKMT2A
SCHEMBL26070134 0.81 TACR1 (0.46) IDO1NOTUMTACR1
SCHEMBL7567595 0.81 TSHR (0.54) TRPV3
SCHEMBL24301586 0.80 MAOB (0.42) NOTUMMAOBTACR1MRGPRX4
SCHEMBL18003095 0.80 TACR1 (0.41) IDO1NOTUMTACR1MRGPRX4TRPV3
SCHEMBL18003509 0.80 SRD5A2 (0.41) IDO1NOTUMTACR1MRGPRX4TRPV3
SCHEMBL18003617 0.79 CTSS (0.44) IDO1MAOBKMT2ATACR1MRGPRX4
SCHEMBL18003154 0.79 AR (0.42) IDO1MMP12MMP1MAOBKMT2A
SCHEMBL492736 0.77 IDO1 (0.68) IDO1MAOBKMT2ATACR1

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
EP-4219477-A1 CYANOTRIAZOLE COMPOUNDS Otsuka Pharmaceutical Co., Ltd. (JP) 2023-08-02 EP disclosed
US-10626095-B2 Cyanotriazole compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2020-04-21 US disclosed
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2016-08-11 US disclosed
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2016-08-11 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 (2 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-10626095-B2 Cyanotriazole compounds CS, PC, ACAT1 IDO1 2430/4885MMP12 1935/4885MMP1 2284/4885
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS CS, PC, ACAT1 IDO1 2430/4885MMP12 1935/4885MMP1 2284/4885

“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.