SCHEMBL20203293

SCHEMBL20203293

Cc1noc2ncn(C(C)(C)C)c(=O)c12

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.41
SMN1; SMN2 Q16637 3/20 0.36
TRPA1 O75762 2/20 0.35
POLB P06746 2/20 0.35
MAPT P10636 6/20 0.34
LMNA P02545 4/20 0.34
GFER P55789 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
HTT P42858 2/20 0.33
RAB9A P51151 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
NPSR1 Q6W5P4 1/20 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
SCHEMBL20203294 0.74 TRPA1 (0.44) ALDH1A1SMN1; SMN2TRPA1POLBMAPT
SCHEMBL22477648 0.74 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2TRPA1POLBMAPT
SCHEMBL25165832 0.72 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2TRPA1POLBMAPT
SCHEMBL24754378 0.70 ALDH1A1 (0.38) ALDH1A1LMNAMEN1KMT2ATDP1
SCHEMBL21363534 0.69 TRPA1 (0.36) ALDH1A1TRPA1LMNA
SCHEMBL21363476 0.69 NOTUM (0.38) ALDH1A1TRPA1LMNA
SCHEMBL23718327 0.68 SMN1; SMN2 (0.40) ALDH1A1SMN1; SMN2TRPA1POLBMAPT
SCHEMBL21367572 0.68 PI4KA (0.35) ALDH1A1LMNA
SCHEMBL21363699 0.68 TDP1 (0.33) ALDH1A1LMNATDP1
SCHEMBL21363697 0.65 TRPA1 (0.33) ALDH1A1TRPA1POLBLMNARAB9A

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230321049-A1 COMPOSITIONS OF ENPP1 INHIBITORS AND USES THEREOF Petragen, Inc. 2023-10-12 US disclosed
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-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
WO-2018096159-A1 OXADIAZOLONES AS TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2018-05-31 WO 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 485/4885SMN1; SMN2 1022/4885TRPA1 1/4885
US-11655245-B2 Oxadiazole transient receptor potential channel inhibitors TRPA1, TRPV1, P2RX3 ALDH1A1 665/4885SMN1; SMN2 1218/4885TRPA1 1/4885
US-20230321049-A1 COMPOSITIONS OF ENPP1 INHIBITORS AND USES THEREOF ENPP1, ENPP2, ENPP3 ALDH1A1 4610/4885SMN1; SMN2 593/4885TRPA1 4771/4885
US-20190284179-A1 OXADIAZOLE TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS TRPA1, TRPV1, TRPV3 ALDH1A1 721/4885SMN1; SMN2 1161/4885TRPA1 1/4885
US-20200308161-A1 OXADIAZOLE TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS TRPA1, TRPV1, P2RX3 ALDH1A1 665/4885SMN1; SMN2 1218/4885TRPA1 1/4885
US-10710994-B2 Oxadiazole transient receptor potential channel inhibitors TRPA1, TRPV1, TRPV3 ALDH1A1 721/4885SMN1; SMN2 1161/4885TRPA1 1/4885

“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.