SCHEMBL21363368

SCHEMBL21363368

Cn1c(NCc2ccccn2)nc2ncn(C(C)(C)C)c(=O)c21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.46
MAOB P27338 2/20 0.46
KDM4E B2RXH2 8/20 0.44
ALDH1A1 P00352 10/20 0.44
TSHR P16473 4/20 0.43
ALOX15 P16050 3/20 0.43
HTT P42858 3/20 0.43
ATAD2 Q6PL18 1/20 0.42
SUMO3 P55854 1/20 0.40
SUMO2 P61956 1/20 0.40
SUMO1 P63165 1/20 0.40
KMT2A Q03164 1/20 0.40
FGFR1 P11362 1/20 0.39
HPGD P15428 2/20 0.39
HSD17B10 Q99714 2/20 0.39
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
GAA P10253 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38

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
SCHEMBL21363382 0.83 TRPA1 (0.53) TRPA1MAOBKDM4EALDH1A1TSHR
SCHEMBL21363508 0.80 TRPA1 (0.39) TRPA1MAOBALDH1A1TSHRHTT
SCHEMBL21363370 0.77 TRPA1 (0.42) TRPA1KDM4EALDH1A1HTTKMT2A
SCHEMBL26155912 0.76 RECQL (0.46) TRPA1MAOBKDM4EALDH1A1TSHR
SCHEMBL21363377 0.76 TRPA1 (0.36) TRPA1KDM4ESMN1; SMN2LMNA
SCHEMBL21363536 0.75 TRPA1 (0.44) TRPA1KDM4EHTTKMT2ARAB9A
SCHEMBL21363642 0.75 CYP2D6 (0.51) HTTHSD17B10RAB9ASMN1; SMN2LMNA
SCHEMBL21363491 0.74 TRPA1 (0.44) TRPA1HTTRAB9ASMN1; SMN2GAA
SCHEMBL22209600 0.72 TRPA1 (0.40) TRPA1KDM4EALDH1A1KMT2AHSD17B10
SCHEMBL21363381 0.68 TRPA1 (0.34) TRPA1ALDH1A1SMN1; SMN2LMNA

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 TRPA1 1/4885MAOB 1891/4885KDM4E 3914/4885
US-20190284179-A1 OXADIAZOLE TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS TRPA1, TRPV1, TRPV3 TRPA1 1/4885MAOB 1869/4885KDM4E 4048/4885
US-20200308161-A1 OXADIAZOLE TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS TRPA1, TRPV1, P2RX3 TRPA1 1/4885MAOB 1891/4885KDM4E 3914/4885
US-10710994-B2 Oxadiazole transient receptor potential channel inhibitors TRPA1, TRPV1, TRPV3 TRPA1 1/4885MAOB 1869/4885KDM4E 4048/4885
US-20230121700-A1 OXADIAZOLE TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS TRPA1, TRPV1, TRPV3 TRPA1 1/4885MAOB 1869/4885KDM4E 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.