SCHEMBL350056

SCHEMBL350056

NC(=O)C(C(=O)O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.53
TDP1 Q9NUW8 1/20 0.50
LMNA P02545 1/20 0.49
GAA P10253 1/20 0.49
ALDH1A1 P00352 4/20 0.47
CES1 P23141 2/20 0.47
GRM8 O00222 1/20 0.47
GRM6 O15303 1/20 0.47
GRM4 Q14833 1/20 0.47
MEN1 O00255 1/20 0.46
MAPT P10636 1/20 0.46
KMT2A Q03164 1/20 0.46
CES2 O00748 1/20 0.46
PLAU P00749 1/20 0.46
SRD5A2 P31213 1/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
KDM4E B2RXH2 1/20 0.45
NOS1 P29475 1/20 0.44
SLC1A3 P43003 1/20 0.44

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
SCHEMBL2598285 0.90 TDP1 (0.55) TSHRTDP1LMNAALDH1A1CES1
SCHEMBL3540946 0.85 POLB (0.54) TSHRTDP1ALDH1A1CES1MEN1
SCHEMBL9055248 0.84 MAPT (0.53) TSHRTDP1ALDH1A1CES1MEN1
SCHEMBL6832627 0.80 ALDH1A1 (0.49) TSHRLMNAGAAALDH1A1MEN1
SCHEMBL2628065 0.79 TDP1 (0.52) TSHRTDP1LMNAGAAALDH1A1
SCHEMBL5201018 0.79 MEN1 (0.60) TSHRTDP1LMNAGAAALDH1A1
SCHEMBL11214879 0.79 TDP1 (0.55) TSHRTDP1LMNAALDH1A1CES1
SCHEMBL7475129 0.78 TSHR (0.53) TSHRTDP1LMNAGAAALDH1A1
SCHEMBL11770993 0.78 TSHR (0.53) TSHRTDP1LMNAGAAALDH1A1
SCHEMBL5676207 0.78 KMT2A (0.55) TSHRLMNAGAAALDH1A1MEN1

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-20120015976-A1 AUTOTAXIN INHIBITORS MERCK PATENT GESELLSCHAFT MIT BESCHRANK TER HAFTUNG (DE) 2012-01-19 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 (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-20120015976-A1 AUTOTAXIN INHIBITORS ENPP2, PLA2G12A, LPCAT1 TSHR 1865/4885TDP1 1108/4885LMNA 682/4885

“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.