SCHEMBL18006409

SCHEMBL18006409

N#Cc1[nH]nnc1-c1cccc(OCc2ccc(C(F)(F)F)c(Cl)c2)c1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 10/20 0.40
▸ MRGPRX4 Q96LA9 4/20 0.39
▸ NR1H3 Q13133 6/20 0.38
▸ CYP11B1 P15538 1/20 0.38
▸ CYP11B2 P19099 1/20 0.38
▸ F9 P00740 2/20 0.37
▸ F10 P00742 2/20 0.37
▸ PTGDR2 Q9Y5Y4 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ PPARG P37231 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ NCOA2 Q15596 1/20 0.35
▸ NCOA1 Q15788 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
SCHEMBL18004043 0.92 IDO1 (0.41) NR1H2MRGPRX4NR1H3CYP11B1CYP11B2
SCHEMBL16399337 0.91 NR1H2 (0.38) NR1H2MRGPRX4NR1H3CYP11B1CYP11B2
SCHEMBL18004427 0.87 SCN1A (0.40) NR1H2MRGPRX4NR1H3CYP11B1CYP11B2
SCHEMBL26071038 0.86 NR1H2 (0.41) NR1H2MRGPRX4NR1H3F9F10
SCHEMBL18004408 0.85 KDM4A (0.41) NR1H2MRGPRX4NR1H3CYP11B1CYP11B2
SCHEMBL18003993 0.84 NR4A2 (0.50) NR1H2MRGPRX4NR1H3MAPT
SCHEMBL18005970 0.83 NR4A2 (0.46) CYP11B1CYP11B2F9F10KDM4E
SCHEMBL18004436 0.83 NR4A2 (0.41) NR1H2MRGPRX4NR1H3CYP11B1KDM4E
SCHEMBL18004039 0.82 NR1H2 (0.42) NR1H2MRGPRX4NR1H3CYP11B1CYP11B2
SCHEMBL18004433 0.82 NR4A2 (0.47) CYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 NR1H2 552/4885MRGPRX4 4062/4885NR1H3 498/4885
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS CS, PC, ACAT1 NR1H2 552/4885MRGPRX4 4062/4885NR1H3 498/4885

“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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