SCHEMBL21363472

SCHEMBL21363472

CCn1cnc2cnccc2c1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 4/20 0.49
CHRM1 P11229 1/20 0.46
RAB9A P51151 2/20 0.46
USP7 Q93009 1/20 0.44
KDM4C Q9H3R0 3/20 0.42
KDM4A O75164 1/20 0.42
KDM4B O94953 1/20 0.42
KDM5C P41229 1/20 0.42
KDM5B Q9UGL1 1/20 0.42
KDM3A Q9Y4C1 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
NFKB1 P19838 1/20 0.42
CASP3 P42574 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42

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
SCHEMBL17163964 0.80 TRPA1 (0.58) TRPA1RAB9AUSP7SMN1; SMN2NPC1
SCHEMBL179074 0.78 SMN1; SMN2 (0.63) RAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL31123005 0.78 SMN1; SMN2 (0.63) RAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL10328321 0.78 KDM4C (0.46) TRPA1CHRM1KDM4CKDM4AKDM4B
SCHEMBL16221144 0.77 GRK2 (0.64) TRPA1CHRM1KDM4CSMN1; SMN2
SCHEMBL4811135 0.76 KDM4E (0.51) RAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL29808177 0.76 KDM4E (0.51) RAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL17677819 0.75 GRK2 (0.65) TRPA1CHRM1KDM4CSMN1; SMN2EIF4EBP1
SCHEMBL38665823 0.75 KDM4C (0.46) TRPA1CHRM1USP7KDM4CKDM4A
SCHEMBL26201351 0.75 KDM4C (0.46) TRPA1CHRM1USP7KDM4CKDM4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10710994-B2 Oxadiazole transient receptor potential channel inhibitors GENENTECH, INC. (US) 2020-07-14 US disclosed
US-20190284179-A1 OXADIAZOLE TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS GENENTECH, INC. (US) 2019-09-19 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-20190284179-A1 OXADIAZOLE TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS TRPA1, TRPV1, TRPV3 TRPA1 1/4885CHRM1 275/4885RAB9A 3728/4885
US-10710994-B2 Oxadiazole transient receptor potential channel inhibitors TRPA1, TRPV1, TRPV3 TRPA1 1/4885CHRM1 275/4885RAB9A 3728/4885

“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.