SCHEMBL21363361

SCHEMBL21363361

Cn1ncc2ncn(C(C)(C)C)c(=O)c21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
TRPA1 O75762 3/20 0.37
CYP1A2 P05177 1/20 0.36
POLB P06746 1/20 0.36
CYP3A4 P08684 1/20 0.36
HPGD P15428 4/20 0.33
LMNA P02545 3/20 0.33
HTT P42858 3/20 0.33
MAPK1 P28482 1/20 0.33
NPC1 O15118 4/20 0.32
RAB9A P51151 4/20 0.32
KDM4E B2RXH2 1/20 0.32
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32
CASP1 P29466 1/20 0.32
CASP7 P55210 1/20 0.32
ATM Q13315 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 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
SCHEMBL21363488 0.73 ALDH1A1 (0.41) ALDH1A1TRPA1CYP1A2POLBCYP3A4
SCHEMBL12877711 0.73 TRPA1 (0.46) ALDH1A1TRPA1CYP1A2POLBCYP3A4
SCHEMBL21363367 0.72 TRPA1 (0.36) TRPA1HPGDLMNAHTTNPC1
SCHEMBL21363439 0.70 ADORA2A (0.41) ALDH1A1TRPA1CYP1A2POLBCYP3A4
SCHEMBL21363532 0.70 ADORA2A (0.41) ALDH1A1TRPA1CYP1A2POLBCYP3A4
SCHEMBL21363473 0.70 TRPA1 (0.41) ALDH1A1TRPA1LMNA
SCHEMBL12862606 0.70 TRPA1 (0.44) ALDH1A1TRPA1POLBHPGDLMNA
SCHEMBL21363697 0.69 TRPA1 (0.33) ALDH1A1TRPA1POLBLMNANPC1
SCHEMBL21363490 0.69 ALDH1A1 (0.32) ALDH1A1POLBLMNA
SCHEMBL21363587 0.68 ALDH1A1 (0.39) ALDH1A1TRPA1CYP1A2POLBCYP3A4

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 5 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-11655245-B2 Oxadiazole transient receptor potential channel inhibitors GENENTECH, INC. (US) 2023-05-23 US disclosed
US-10711004-B2 Oxadiazole transient receptor potential channel inhibitors GENENTECH, INC. (US) 2020-07-14 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-10711004-B2 Oxadiazole transient receptor potential channel inhibitors TRPA1, TRPV1, TRPV3 ALDH1A1 485/4885TRPA1 1/4885CYP1A2 713/4885
US-11655245-B2 Oxadiazole transient receptor potential channel inhibitors TRPA1, TRPV1, P2RX3 ALDH1A1 665/4885TRPA1 1/4885CYP1A2 781/4885
US-20190284179-A1 OXADIAZOLE TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS TRPA1, TRPV1, TRPV3 ALDH1A1 721/4885TRPA1 1/4885CYP1A2 753/4885
US-10710994-B2 Oxadiazole transient receptor potential channel inhibitors TRPA1, TRPV1, TRPV3 ALDH1A1 721/4885TRPA1 1/4885CYP1A2 753/4885

“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.