SCHEMBL18113769

SCHEMBL18113769

COc1ncnc(OC)c1C(=O)Nc1nc(C(F)(F)F)c(C2CC2)s1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TRPV4 Q9HBA0 3/20 0.38
▸ ALDH1A1 P00352 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ TSHR P16473 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ NPC1 O15118 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ TP53 P04637 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ NCS1 P62166 1/20 0.33
▸ BRD4 O60885 1/20 0.33
▸ POLB P06746 2/20 0.32
▸ GAA P10253 1/20 0.32
▸ ATF1 P18846 1/20 0.32
▸ NFKB1 P19838 1/20 0.32
▸ POLQ O75417 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31

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
SCHEMBL18113907 0.93 IRAK4 (0.36) TRPV4MAPTNPC1RAB9AKDM4E
SCHEMBL20481492 0.89 PIK3CG (0.34) TRPV4ALDH1A1MAPTTSHRHSD17B10
SCHEMBL18113953 0.88 RIPK1 (0.33) TRPV4ALDH1A1TSHRNPC1RAB9A
SCHEMBL18113837 0.88 RIPK1 (0.33) TRPV4ALDH1A1TSHRNPC1RAB9A
SCHEMBL18113860 0.88 RIPK1 (0.33) TRPV4ALDH1A1TSHRNPC1RAB9A
SCHEMBL18113870 0.87 TRPV4 (0.33) TRPV4ALDH1A1MAPTTSHRHSD17B10
SCHEMBL18113828 0.85 NPC1 (0.35) TRPV4ALDH1A1MAPTTSHRHSD17B10
SCHEMBL20481600 0.85 NPC1 (0.39) ALDH1A1MAPTTSHRHSD17B10NPC1
SCHEMBL20481549 0.84 TP53 (0.37) NPC1RAB9ATP53HTTSMN1; SMN2
SCHEMBL18113802 0.83 PI4KB (0.35) TRPV4ALDH1A1MAPTTSHRHSD17B10

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-20180243298-A1 TRPV3 MODULATORS ABBVIE INC. 2018-08-30 — — US claimed
WO-2016160938-A1 N-(1,3-THIAZOL-2-YL)PYRIMIDINE-5-CARBOXAMIDES AS TRPV3 MODULATORS ABBVIE INC. (US) 2016-10-06 — — WO claimed
US-20180243298-A1 TRPV3 MODULATORS ABBVIE INC. 2018-08-30 — — US disclosed
WO-2016160938-A1 N-(1,3-THIAZOL-2-YL)PYRIMIDINE-5-CARBOXAMIDES AS TRPV3 MODULATORS ABBVIE INC. (US) 2016-10-06 — — 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-20180243298-A1 TRPV3 MODULATORS TRPV3, TRPV1, TRPV2 TRPV4 4/4885ALDH1A1 3440/4885MAPT 776/4885

“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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