SCHEMBL16840366

SCHEMBL16840366

COc1ccc(CNC(=O)c2cc(OC)ccc2[N+](=O)[O-])c(OC)c1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 2/20 0.58
TAS1R1 Q7RTX1 2/20 0.58
ALDH1A1 P00352 4/20 0.58
HPGD P15428 3/20 0.58
GAA P10253 1/20 0.58
PKM P14618 1/20 0.58
HTT P42858 1/20 0.58
TSHR P16473 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
POLB P06746 2/20 0.49
KDM4E B2RXH2 1/20 0.49
APLNR P35414 1/20 0.49
MAPT P10636 1/20 0.48
MAOB P27338 1/20 0.48
LMNA P02545 1/20 0.48
NPC1 O15118 1/20 0.47
CYP3A4 P08684 1/20 0.47

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
SCHEMBL16840118 0.92 HPGD (0.56) TAS1R3TAS1R1ALDH1A1HPGDGAA
SCHEMBL16840300 0.91 HPGD (0.69) TAS1R3TAS1R1ALDH1A1HPGDGAA
SCHEMBL30512905 0.85 HPGD (0.60) TAS1R3TAS1R1ALDH1A1HPGDGAA
SCHEMBL16840365 0.83 TAS1R3 (0.63) TAS1R3TAS1R1ALDH1A1HPGDGAA
SCHEMBL2267405 0.82 ALDH1A1 (0.52) TAS1R3TAS1R1ALDH1A1HPGDGAA
SCHEMBL6428110 0.79 MEN1 (0.59) TAS1R3TAS1R1ALDH1A1HPGDGAA
SCHEMBL6313106 0.76 HPGD (0.53) TAS1R3TAS1R1ALDH1A1HPGDGAA
SCHEMBL18415441 0.76 TAS1R3 (0.67) TAS1R3TAS1R1ALDH1A1HPGDGAA
SCHEMBL23985899 0.76 TAS1R3 (0.71) TAS1R3TAS1R1ALDH1A1HPGDGAA
SCHEMBL19326905 0.76 HPGD (0.74) TAS1R3TAS1R1ALDH1A1HPGDGAA

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-20170253603-A2 BENZODIAZEPINE DERIVATIVES, COMPOSITIONS, AND METHODS FOR TREATING COGNITIVE IMPAIRMENT AGENEBIO, INC. (US) 2017-09-07 US disclosed
WO-2016205739-A1 BENZODIAZEPINE DERIVATIVES, COMPOSITIONS, AND METHODS FOR TREATING COGNITIVE IMPAIRMENT MEKONNEN BELEW (US) 2016-12-22 WO disclosed
WO-2015095783-A1 BENZODIAZEPINE DERIVATIVES, COMPOSITIONS, AND METHODS FOR TREATING COGNITIVE IMPAIRMENT AGENEBIO, INC. (US) 2015-06-25 WO 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-20170253603-A2 BENZODIAZEPINE DERIVATIVES, COMPOSITIONS, AND METHODS FOR TREATING COGNITIVE IMPAIRMENT GRM5, GABRA5, GABRE TAS1R3 942/4885TAS1R1 834/4885ALDH1A1 1862/4885

“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.