SCHEMBL15043887

SCHEMBL15043887

Cc1cnc(C=O)cc1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.41
TSHR P16473 4/20 0.41
CYP3A4 P08684 3/20 0.41
RECQL P46063 1/20 0.41
MAPT P10636 4/20 0.38
HSD17B10 Q99714 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALOX15 P16050 1/20 0.38
PRKDC P78527 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
GAA P10253 1/20 0.36
GPR35 Q9HC97 2/20 0.36
XDH P47989 1/20 0.35
ALDH5A1 P51649 1/20 0.35
ABAT P80404 1/20 0.35

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
SCHEMBL31555906 0.86 ALDH1A1 (0.47) ALDH1A1TSHRCYP3A4RECQLMAPT
SCHEMBL843680 0.86 ALDH1A1 (0.47) ALDH1A1TSHRCYP3A4RECQLMAPT
SCHEMBL14332726 0.78 ALDH1A1 (0.53) ALDH1A1CYP3A4MAPTHSD17B10KDM4E
SCHEMBL3360541 0.77 ALDH1A1 (0.46) ALDH1A1TSHRCYP3A4RECQLMAPT
SCHEMBL29952328 0.74 NOS3 (0.44) ALDH1A1TSHRCYP3A4CYP1A2CYP2C19
SCHEMBL6628386 0.74 NOS3 (0.44) ALDH1A1TSHRCYP3A4CYP1A2CYP2C19
SCHEMBL30749766 0.74 TSHR (0.43) ALDH1A1TSHRCYP3A4RECQLMAPT
SCHEMBL2669593 0.74 TSHR (0.43) ALDH1A1TSHRCYP3A4RECQLMAPT
SCHEMBL4888907 0.74 NOS3 (0.52) ALDH1A1TSHRCYP3A4RECQLMAPT
SCHEMBL31481315 0.74 GPR35 (0.47) ALDH1A1TSHRCYP3A4RECQLMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9096527-B2 TRPM8 antagonists and their use in treatments AMGEN INC. (US) 2015-08-04 US disclosed
US-20140171406-A1 TRPM8 ANTAGONISTS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2014-06-19 US disclosed
US-20140171639-A1 TRPM8 ANTAGONISTS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2014-06-19 US disclosed
US-8710043-B2 TRPM8 antagonists and their use in treatments AMGEN INC. (US) 2014-04-29 US disclosed
US-20130157996-A1 TRPM8 ANTAGONISTS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2013-06-20 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-20140171639-A1 TRPM8 ANTAGONISTS AND THEIR USE IN TREATMENTS TRPM8, TRPM7, TRPM5 ALDH1A1 4051/4885TSHR 2647/4885CYP3A4 3732/4885
US-20140171406-A1 TRPM8 ANTAGONISTS AND THEIR USE IN TREATMENTS TRPM8, TRPM7, TRPM5 ALDH1A1 4051/4885TSHR 2647/4885CYP3A4 3732/4885
US-20130157996-A1 TRPM8 ANTAGONISTS AND THEIR USE IN TREATMENTS TRPM8, TRPM7, TRPM5 ALDH1A1 4051/4885TSHR 2647/4885CYP3A4 3732/4885

“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.