SCHEMBL21363576

SCHEMBL21363576

CC(C)(C)n1c(N)nc(=O)c2cccnc21

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.46
HPGD P15428 3/20 0.46
ALDH1A1 P00352 2/20 0.46
ACHE P22303 1/20 0.44
CYP2C19 P33261 3/20 0.43
TSHR P16473 1/20 0.43
TNKS O95271 1/20 0.40
FEN1 P39748 1/20 0.37
KMT2A Q03164 2/20 0.36
TRPA1 O75762 1/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2C9 P11712 1/20 0.35
CDK9 P50750 1/20 0.35
LDHA P00338 1/20 0.34
MEN1 O00255 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
ATM Q13315 1/20 0.33
ELANE P08246 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
SCHEMBL26155677 0.83 HPGD (0.50) KDM4EHPGDALDH1A1ACHECYP2C19
SCHEMBL25165842 0.83 ALDH1A1 (0.34) KDM4EHPGDALDH1A1ACHECYP2C19
SCHEMBL21363590 0.78 AKT1 (0.43) KDM4EALDH1A1CYP2C19CYP1A2CDK9
SCHEMBL21363446 0.77 IDO1 (0.40) KDM4EACHEFEN1
SCHEMBL22853026 0.76 L3MBTL1 (0.40) KDM4EHPGDALDH1A1CYP2C19FEN1
SCHEMBL21363579 0.75 TRPA1 (0.37) TRPA1CYP1A2CDK9
SCHEMBL4547805 0.73 FEN1 (0.50) KDM4EHPGDALDH1A1CYP2C19FEN1
SCHEMBL26155651 0.70 KDM4E (0.54) KDM4EHPGDALDH1A1ACHECYP2C19
SCHEMBL19161267 0.69 HDAC3 (0.38) KDM4EHPGDALDH1A1ACHECYP2C19
SCHEMBL26597001 0.69 ATM (0.43) KDM4EHPGDALDH1A1CYP2C19TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (3 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-20190284179-A1 OXADIAZOLE TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS TRPA1, TRPV1, TRPV3 KDM4E 4048/4885HPGD 816/4885ALDH1A1 721/4885
US-20200308161-A1 OXADIAZOLE TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS TRPA1, TRPV1, P2RX3 KDM4E 3914/4885HPGD 822/4885ALDH1A1 665/4885
US-10710994-B2 Oxadiazole transient receptor potential channel inhibitors TRPA1, TRPV1, TRPV3 KDM4E 4048/4885HPGD 816/4885ALDH1A1 721/4885

“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.