SCHEMBL15043880

SCHEMBL15043880

COc1ccc(OC=O)nc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.44
RAB9A P51151 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
S1PR4 O95977 7/20 0.43
MAPT P10636 6/20 0.41
ALDH1A1 P00352 5/20 0.41
LMNA P02545 3/20 0.41
HPGD P15428 4/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TDP1 Q9NUW8 3/20 0.38
KDM4E B2RXH2 2/20 0.37
CYP3A4 P08684 1/20 0.37
ALOX15 P16050 1/20 0.37
PRKDC P78527 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CYP19A1 P11511 1/20 0.37
PTGS2 P35354 1/20 0.37
POLB P06746 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.36

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
SCHEMBL4763882 0.78 ALDH1A1 (0.43) NPC1RAB9ASMN1; SMN2S1PR4MAPT
SCHEMBL187354 0.75 NPC1 (0.64) NPC1RAB9ASMN1; SMN2S1PR4MAPT
SCHEMBL10562972 0.75 MAPT (0.46) NPC1RAB9ASMN1; SMN2S1PR4MAPT
SCHEMBL2986307 0.73 MAPT (0.46) NPC1RAB9ASMN1; SMN2S1PR4MAPT
SCHEMBL10112833 0.73 ERN1 (0.38) ALDH1A1MEN1KMT2ATDP1KDM4E
SCHEMBL31358001 0.73 MAPT (0.46) NPC1RAB9ASMN1; SMN2S1PR4MAPT
SCHEMBL23421449 0.72 MAPT (0.47) NPC1RAB9ASMN1; SMN2S1PR4MAPT
SCHEMBL16126094 0.71 TXNRD1 (0.40) RAB9AS1PR4MAPTTDP1CYP3A4
SCHEMBL10779236 0.70 ALDH1A1 (0.58) NPC1RAB9ASMN1; SMN2S1PR4MAPT
SCHEMBL3663316 0.70 NPC1 (0.45) NPC1RAB9ASMN1; SMN2S1PR4MAPT

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 NPC1 533/4885RAB9A 1520/4885SMN1; SMN2 837/4885
US-20140171406-A1 TRPM8 ANTAGONISTS AND THEIR USE IN TREATMENTS TRPM8, TRPM7, TRPM5 NPC1 533/4885RAB9A 1520/4885SMN1; SMN2 837/4885
US-20130157996-A1 TRPM8 ANTAGONISTS AND THEIR USE IN TREATMENTS TRPM8, TRPM7, TRPM5 NPC1 533/4885RAB9A 1520/4885SMN1; SMN2 837/4885

“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.