SCHEMBL12416822

SCHEMBL12416822

CCOC(=O)c1ccc(/N=C/c2cc([N+](=O)[O-])ccc2O)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FNTA P49354 1/20 0.65
FNTB P49356 1/20 0.65
MAPT P10636 5/20 0.64
ALDH1A1 P00352 4/20 0.64
MEN1 O00255 3/20 0.64
KMT2A Q03164 3/20 0.64
HTT P42858 2/20 0.64
MAOB P27338 1/20 0.57
ALPL P05186 1/20 0.55
ALPI P09923 1/20 0.55
ALPG P10696 1/20 0.55
EGFR P00533 2/20 0.55
HPGD P15428 2/20 0.53
GAA P10253 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
KDM4E B2RXH2 2/20 0.50
POLB P06746 1/20 0.50
PKM P14618 1/20 0.49

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
SCHEMBL22624751 0.87 FNTA (0.69) FNTAFNTBMAPTALDH1A1MEN1
SCHEMBL20334347 0.83 EGFR (0.76) MAPTALDH1A1KMT2AMAOBEGFR
SCHEMBL12767385 0.83 EGFR (0.61) MAPTALDH1A1MEN1KMT2AHTT
SCHEMBL12416787 0.82 PTPN1 (0.59) MAPTALDH1A1MEN1KMT2AHPGD
SCHEMBL7825489 0.82 FNTA (0.80) FNTAFNTBMAPTALDH1A1HTT
SCHEMBL7825486 0.82 FNTA (0.80) FNTAFNTBMAPTALDH1A1HTT
SCHEMBL1949785 0.82 FNTA (0.67) FNTAFNTBMAPTALDH1A1MEN1
SCHEMBL1949783 0.82 FNTA (0.67) FNTAFNTBMAPTALDH1A1MEN1
SCHEMBL13639913 0.81 EGFR (0.59) MAPTALDH1A1MEN1KMT2AMAOB
SCHEMBL31154171 0.81 EGFR (0.59) MAPTALDH1A1MEN1KMT2AHTT

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-20110172234-A1 METHODS AND COMPOSITIONS OF TRAIL-DEATH RECEPTOR AGONISTS/ACTIVATORS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2011-07-14 US disclosed
US-7915245-B2 Using small molecules as binding ligands, for the recruitment of Fas-associated death domain protein, activation of death-inducing signaling complex, caspase-8, and apoptosis in malignant cells; anticarcinogens, antitumor agents; enhanced cellular differentiation, minimizing cytolysis to healthy cells THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2011-03-29 US disclosed
US-20080214547-A1 METHODS AND COMPOSITIONS OF TRAIL-DEATH RECEPTOR AGONISTS/ACTIVATORS UNIVERSITY OF MARYLAND, BALTIMORE 2008-09-04 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 (2 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-20080214547-A1 METHODS AND COMPOSITIONS OF TRAIL-DEATH RECEPTOR AGONISTS/ACTIVATORS BID, BAD, MCL1 FNTA 2973/4885FNTB 3777/4885MAPT 3638/4885
US-20110172234-A1 METHODS AND COMPOSITIONS OF TRAIL-DEATH RECEPTOR AGONISTS/ACTIVATORS BID, BAD, MCL1 FNTA 2973/4885FNTB 3777/4885MAPT 3638/4885

“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.