SCHEMBL21363370

SCHEMBL21363370

Cn1c(NCCO)nc2ncn(C(C)(C)C)c(=O)c21

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.42
TP53 P04637 2/20 0.40
KDM4E B2RXH2 1/20 0.40
HSD17B10 Q99714 1/20 0.40
SMN1; SMN2 Q16637 5/20 0.38
ALDH1A1 P00352 3/20 0.38
CYP2C19 P33261 1/20 0.38
PCSK9 Q8NBP7 8/20 0.38
LMNA P02545 4/20 0.37
HTT P42858 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
MAPK1 P28482 1/20 0.37
RAB9A P51151 1/20 0.36
ATM Q13315 1/20 0.35

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
SCHEMBL21363508 0.86 TRPA1 (0.39) TRPA1TP53HSD17B10SMN1; SMN2ALDH1A1
SCHEMBL21363536 0.85 TRPA1 (0.44) TRPA1KDM4ESMN1; SMN2CYP2C19PCSK9
SCHEMBL21363642 0.85 CYP2D6 (0.51) HSD17B10SMN1; SMN2CYP2C19LMNAHTT
SCHEMBL21363491 0.82 TRPA1 (0.44) TRPA1SMN1; SMN2CYP2C19LMNAHTT
SCHEMBL21363377 0.81 TRPA1 (0.36) TRPA1KDM4ESMN1; SMN2LMNA
SCHEMBL22209600 0.80 TRPA1 (0.40) TRPA1TP53KDM4EHSD17B10SMN1; SMN2
SCHEMBL22477722 0.78 TRPA1 (0.42) TRPA1TP53KDM4EHSD17B10SMN1; SMN2
SCHEMBL21363381 0.73 TRPA1 (0.34) TRPA1SMN1; SMN2ALDH1A1LMNA
SCHEMBL21363440 0.73 ALDH1A1 (0.37) TRPA1KDM4EALDH1A1LMNAMEN1
SCHEMBL21363595 0.73 ALDH1A1 (0.31) ALDH1A1LMNA

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 7 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-20230121700-A1 OXADIAZOLE TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS GENENTECH, INC. (US) 2023-04-20 US disclosed
US-20200308161-A1 OXADIAZOLE TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS GENENTECH, INC. (US) 2020-10-01 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 (6 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 TRPA1 1/4885TP53 4121/4885KDM4E 4315/4885
US-11655245-B2 Oxadiazole transient receptor potential channel inhibitors TRPA1, TRPV1, P2RX3 TRPA1 1/4885TP53 3670/4885KDM4E 3914/4885
US-20190284179-A1 OXADIAZOLE TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS TRPA1, TRPV1, TRPV3 TRPA1 1/4885TP53 3457/4885KDM4E 4048/4885
US-20200308161-A1 OXADIAZOLE TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS TRPA1, TRPV1, P2RX3 TRPA1 1/4885TP53 3670/4885KDM4E 3914/4885
US-10710994-B2 Oxadiazole transient receptor potential channel inhibitors TRPA1, TRPV1, TRPV3 TRPA1 1/4885TP53 3457/4885KDM4E 4048/4885
US-20230121700-A1 OXADIAZOLE TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS TRPA1, TRPV1, TRPV3 TRPA1 1/4885TP53 3457/4885KDM4E 4048/4885

“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.