SCHEMBL941406

SCHEMBL941406

NC(=O)C1=Nc2ccccc2C(O)N1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 5/20 0.39
NOS3 P29474 3/20 0.39
NOS2 P35228 3/20 0.39
MAPT P10636 2/20 0.31
KDM4E B2RXH2 1/20 0.31
GAA P10253 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
ATM Q13315 1/20 0.31
CYP2C19 P33261 2/20 0.31
POLB P06746 1/20 0.31
CYP3A4 P08684 1/20 0.31
PARP1 P09874 1/20 0.31
TSHR P16473 1/20 0.31
RECQL P46063 1/20 0.31
BLM P54132 1/20 0.31
PMP22 Q01453 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL28307933 0.70 CACNA1G (0.42) MAPTKMT2ATSHRHSD17B10CACNA1G
SCHEMBL6451245 0.65 NOS1 (0.33) NOS1NOS3NOS2
SCHEMBL7491186 0.63 NOS3 (0.33) NOS1NOS3NOS2
SCHEMBL13633898 0.62 NOS1 (0.36) NOS1NOS3NOS2KMT2AATM
SCHEMBL17555026 0.61 MAOA (0.33)
SCHEMBL27723939 0.59 EDNRA (0.39) HTTKMT2AATMCYP2C19TSHR
SCHEMBL9912528 0.59 ALDH1A1 (0.54) KDM4EGAAHTTKMT2AATM
SCHEMBL10826616 0.58 GAA (0.37) NOS1NOS3NOS2MAPTKDM4E
Peganole SCHEMBL4111529 0.58 KLK7 (0.50) NOS1NOS3NOS2KMT2ACYP3A4
SCHEMBL27561460 0.57 NOS1 (0.37) NOS1NOS3NOS2MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110009435-A1 HETERO BICYCLIC CARBOXAMIDE DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS PFIZER, INC. (US) 2011-01-13 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 (1 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-20110009435-A1 HETERO BICYCLIC CARBOXAMIDE DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS CNR2, CYP2C9, CYP2C8 NOS1 2071/4885NOS3 1429/4885NOS2 1183/4885

“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.