SCHEMBL21363499

SCHEMBL21363499

CC(C)(C)n1cnc2nc(N)ccc2c1=O

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
LMNA P02545 1/20 0.37
PI4KA P42356 1/20 0.34
PI4K2B Q8TCG2 1/20 0.34
PI4K2A Q9BTU6 1/20 0.34
PI4KB Q9UBF8 1/20 0.34
TRPA1 O75762 4/20 0.34
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
KDM4E B2RXH2 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL22477680 0.85 TRPA1 (0.32) ALDH1A1TRPA1ADORA2AADORA1KDM4E
SCHEMBL21363469 0.84 TRPA1 (0.32) ALDH1A1LMNATRPA1
SCHEMBL21363444 0.80 ALDH1A1 (0.43) ALDH1A1LMNATRPA1KDM4EKMT2A
SCHEMBL21895452 0.79 L3MBTL1 (0.38) TRPA1ADORA2AADORA1KDM4E
SCHEMBL21363383 0.78 TRPA1 (0.36) TRPA1
SCHEMBL21363616 0.76 IDO1 (0.40) LMNATRPA1KDM4EKMT2A
SCHEMBL23679572 0.76 TRPA1 (0.35) ALDH1A1TRPA1ADORA2AADORA1KDM4E
SCHEMBL22209598 0.75 RAB9A (0.44) ALDH1A1PI4KAPI4K2BPI4K2API4KB
SCHEMBL21363538 0.73 TRPA1 (0.37) ALDH1A1LMNATRPA1
SCHEMBL21363506 0.73 TRPA1 (0.37) ALDH1A1LMNAPI4KAPI4K2BPI4K2A

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 ALDH1A1 485/4885LMNA 4575/4885PI4KA 2892/4885
US-11655245-B2 Oxadiazole transient receptor potential channel inhibitors TRPA1, TRPV1, P2RX3 ALDH1A1 665/4885LMNA 3217/4885PI4KA 3457/4885
US-20190284179-A1 OXADIAZOLE TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS TRPA1, TRPV1, TRPV3 ALDH1A1 721/4885LMNA 3183/4885PI4KA 3446/4885
US-20200308161-A1 OXADIAZOLE TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS TRPA1, TRPV1, P2RX3 ALDH1A1 665/4885LMNA 3217/4885PI4KA 3457/4885
US-10710994-B2 Oxadiazole transient receptor potential channel inhibitors TRPA1, TRPV1, TRPV3 ALDH1A1 721/4885LMNA 3183/4885PI4KA 3446/4885
US-20230121700-A1 OXADIAZOLE TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS TRPA1, TRPV1, TRPV3 ALDH1A1 721/4885LMNA 3183/4885PI4KA 3446/4885

“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.