SCHEMBL21363584

SCHEMBL21363584

CC(C)(C)n1c(N)nn2ncc(Cl)c2c1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.36
ALDH1A1 P00352 7/20 0.33
HTT P42858 5/20 0.33
SMN1; SMN2 Q16637 4/20 0.33
NPC1 O15118 3/20 0.33
MITF O75030 2/20 0.33
KMT2A Q03164 2/20 0.33
NPBWR1 P48145 1/20 0.32
MCHR1 Q99705 1/20 0.32
GAA P10253 1/20 0.31
MAPT P10636 3/20 0.30
RAB9A P51151 3/20 0.30
S1PR4 O95977 2/20 0.30
S1PR1 P21453 2/20 0.30
PAX8 Q06710 2/20 0.30
THRB P10828 1/20 0.30
XBP1 P17861 1/20 0.30
HPGD P15428 1/20 0.30
LMNA P02545 1/20 0.30
RECQL P46063 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
SCHEMBL21363426 0.83 TRPA1 (0.36) TRPA1
SCHEMBL22210617 0.76 TRPA1 (0.35) TRPA1ALDH1A1HTTSMN1; SMN2NPC1
SCHEMBL22477699 0.76 NPBWR1 (0.37) TRPA1ALDH1A1HTTSMN1; SMN2NPC1
SCHEMBL21363587 0.65 ALDH1A1 (0.39) TRPA1ALDH1A1
SCHEMBL21363603 0.61 NOS3 (0.33) MAPT
SCHEMBL1627210 0.59 SMN1; SMN2 (0.50) ALDH1A1HTTSMN1; SMN2NPC1MITF
SCHEMBL21363373 0.58 TRPA1 (0.37) TRPA1ALDH1A1MAPTLMNA
SCHEMBL4255003 0.58 ALDH1A1 (0.42) ALDH1A1HTTSMN1; SMN2NPC1MITF
SCHEMBL3845405 0.58 SMN1; SMN2 (0.43) ALDH1A1HTTSMN1; SMN2NPC1MITF
SCHEMBL22477700 0.57 TRPA1 (0.34) TRPA1

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-11655245-B2 Oxadiazole transient receptor potential channel inhibitors GENENTECH, INC. (US) 2023-05-23 US disclosed
US-20230121700-A1 OXADIAZOLE TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS GENENTECH, INC. (US) 2023-04-20 US disclosed
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 (4 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-11655245-B2 Oxadiazole transient receptor potential channel inhibitors TRPA1, TRPV1, P2RX3 TRPA1 1/4885ALDH1A1 665/4885HTT 1248/4885
US-20190284179-A1 OXADIAZOLE TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS TRPA1, TRPV1, TRPV3 TRPA1 1/4885ALDH1A1 721/4885HTT 1243/4885
US-10710994-B2 Oxadiazole transient receptor potential channel inhibitors TRPA1, TRPV1, TRPV3 TRPA1 1/4885ALDH1A1 721/4885HTT 1243/4885
US-20230121700-A1 OXADIAZOLE TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS TRPA1, TRPV1, TRPV3 TRPA1 1/4885ALDH1A1 721/4885HTT 1243/4885

“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.