SCHEMBL21363581

SCHEMBL21363581

CCn1cnn2ncc(C#N)c2c1=O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.41
KDM5A P29375 5/20 0.38
RAB9A P51151 1/20 0.35
KDM4E B2RXH2 6/20 0.35
ALDH1A1 P00352 4/20 0.35
MAPK1 P28482 2/20 0.35
HPGD P15428 2/20 0.33
HSD17B10 Q99714 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
POLB P06746 1/20 0.32
HTT P42858 1/20 0.32
RECQL P46063 1/20 0.32
PTGS2 P35354 1/20 0.32
LMNA P02545 2/20 0.31
KDM4C Q9H3R0 1/20 0.30
NPBWR1 P48145 1/20 0.30
MCHR1 Q99705 1/20 0.30

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
SCHEMBL25165834 0.78 TRPA1 (0.42) TRPA1RAB9AALDH1A1
SCHEMBL21363694 0.76 TRPA1 (0.33) TRPA1KDM5APTGS2KDM4CNPBWR1
SCHEMBL21363592 0.66 TRPA1 (0.41) TRPA1RAB9AALDH1A1
SCHEMBL8546275 0.65 KDM5A (0.41) KDM5AKDM4EALDH1A1MAPK1HPGD
SCHEMBL21363363 0.60 TRPA1 (0.46) TRPA1RAB9AALDH1A1POLB
SCHEMBL12877711 0.60 TRPA1 (0.46) TRPA1RAB9AALDH1A1MAPK1HPGD
SCHEMBL27397322 0.60 KDM4E (0.50) KDM4EALDH1A1MAPK1HPGDL3MBTL1
SCHEMBL16092269 0.60 KDM5A (0.74) KDM5AKDM4EALDH1A1HPGDHSD17B10
SCHEMBL19504919 0.59 CYP11B2 (0.56) KDM5ARAB9AKDM4EALDH1A1HPGD
SCHEMBL23505920 0.58 KDM4E (0.43) RAB9AKDM4EALDH1A1MAPK1L3MBTL1

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 1/4885KDM5A 3622/4885RAB9A 3728/4885
US-10710994-B2 Oxadiazole transient receptor potential channel inhibitors TRPA1, TRPV1, TRPV3 TRPA1 1/4885KDM5A 3622/4885RAB9A 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.