SCHEMBL18113828

SCHEMBL18113828

COc1ncnc(OC)c1C(=O)Nc1nc(C(F)(F)F)c(C2OCCCO2)s1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 9/20 0.35
▸ RAB9A P51151 9/20 0.35
▸ ALDH1A1 P00352 5/20 0.33
▸ TP53 P04637 4/20 0.33
▸ SMN1; SMN2 Q16637 4/20 0.33
▸ TSHR P16473 2/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ MAPK1 P28482 2/20 0.33
▸ KDM4E B2RXH2 3/20 0.33
▸ LMNA P02545 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ HTT P42858 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ HPGD P15428 2/20 0.32
▸ POLB P06746 2/20 0.32
▸ TRPV4 Q9HBA0 1/20 0.32
▸ ADORA2A P29274 1/20 0.32
▸ ADORA1 P30542 1/20 0.32

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
SCHEMBL18113870 0.96 TRPV4 (0.33) NPC1RAB9AALDH1A1TP53SMN1; SMN2
SCHEMBL20481600 0.89 NPC1 (0.39) NPC1RAB9AALDH1A1TP53SMN1; SMN2
SCHEMBL18113769 0.85 TRPV4 (0.38) NPC1RAB9AALDH1A1TP53SMN1; SMN2
SCHEMBL18113907 0.85 IRAK4 (0.36) NPC1RAB9AKDM4EMAPTTRPV4
SCHEMBL18113953 0.84 RIPK1 (0.33) NPC1RAB9AALDH1A1TP53SMN1; SMN2
SCHEMBL18113837 0.84 RIPK1 (0.33) NPC1RAB9AALDH1A1TP53SMN1; SMN2
SCHEMBL18113860 0.84 RIPK1 (0.33) NPC1RAB9AALDH1A1TP53SMN1; SMN2
SCHEMBL20481492 0.83 PIK3CG (0.34) NPC1RAB9AALDH1A1TSHRKDM4E
SCHEMBL20481549 0.81 TP53 (0.37) NPC1RAB9ATP53SMN1; SMN2HTT
SCHEMBL18113923 0.80 — —

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 NPC1 1133/4885RAB9A 3142/4885ALDH1A1 3440/4885

“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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