SCHEMBL21363436

SCHEMBL21363436

CC(C)(C)n1ncn2c(=O)cccc2c1=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.35
LMNA P02545 2/20 0.35
TSHR P16473 4/20 0.34
CYP3A4 P08684 3/20 0.34
CYP2C9 P11712 3/20 0.34
CYP2C19 P33261 3/20 0.34
CYP2D6 P10635 2/20 0.34
MAPK1 P28482 3/20 0.33
PLA2G1B P04054 1/20 0.33
ATG4B Q9Y4P1 1/20 0.33
GABRA5 P31644 1/20 0.32
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
HPGD P15428 3/20 0.31
HTT P42858 3/20 0.31
ATM Q13315 1/20 0.31
NPC1 O15118 1/20 0.31
TP53 P04637 1/20 0.31

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
SCHEMBL21363432 0.69 TRPA1 (0.33) HPGDTRPA1ALDH1A1
SCHEMBL12563116 0.65 CA12 (0.36) SMN1; SMN2LMNATSHRCYP3A4CYP2C9
SCHEMBL22477646 0.62 TRPA1 (0.40) LMNATSHRMAPK1GABRA5HPGD
SCHEMBL20203369 0.62 BRD9 (0.35) SMN1; SMN2GABRA5HPGDTRPA1MEN1
SCHEMBL21363468 0.61
SCHEMBL14086054 0.60 CYP2C9 (0.38) SMN1; SMN2LMNATSHRCYP3A4CYP2C9
SCHEMBL13757408 0.59 PDE4A (0.38) SMN1; SMN2LMNATSHRCYP3A4CYP2C9
SCHEMBL10233349 0.59 NPC1 (0.47) SMN1; SMN2LMNATSHRCYP3A4CYP2C9
SCHEMBL9962269 0.58 MEN1 (0.35) SMN1; SMN2LMNATSHRCYP3A4CYP2C9
SCHEMBL24952556 0.58 NFE2L2 (0.33)

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 6 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-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 (5 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 SMN1; SMN2 1218/4885LMNA 3217/4885TSHR 1061/4885
US-20190284179-A1 OXADIAZOLE TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS TRPA1, TRPV1, TRPV3 SMN1; SMN2 1161/4885LMNA 3183/4885TSHR 903/4885
US-20200308161-A1 OXADIAZOLE TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS TRPA1, TRPV1, P2RX3 SMN1; SMN2 1218/4885LMNA 3217/4885TSHR 1061/4885
US-10710994-B2 Oxadiazole transient receptor potential channel inhibitors TRPA1, TRPV1, TRPV3 SMN1; SMN2 1161/4885LMNA 3183/4885TSHR 903/4885
US-20230121700-A1 OXADIAZOLE TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS TRPA1, TRPV1, TRPV3 SMN1; SMN2 1161/4885LMNA 3183/4885TSHR 903/4885

“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.