SCHEMBL14714243

SCHEMBL14714243

O=Cc1ccc(-c2ccc(C=O)c([N+](=O)[O-])c2)cc1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.53
MEN1 O00255 1/20 0.53
POLB P06746 1/20 0.53
KMT2A Q03164 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
ERN1 O75460 15/20 0.50
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
CYP3A4 P08684 1/20 0.50
ALOX15 P16050 1/20 0.50
PRKDC P78527 1/20 0.50
HSD17B10 Q99714 1/20 0.50

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
SCHEMBL5381509 0.91 CRHBP (0.54) MAPTMEN1POLBKMT2ATDP1
SCHEMBL7223698 0.89 ERN1 (0.49) MAPTMEN1POLBKMT2ATDP1
SCHEMBL30168084 0.85 ERN1 (0.53) ERN1ALDH1A1CYP3A4ALOX15
SCHEMBL14392423 0.85 ERN1 (0.47) MAPTMEN1POLBKMT2ATDP1
SCHEMBL28961917 0.85 ERN1 (0.53) ERN1ALDH1A1CYP3A4ALOX15
SCHEMBL14713554 0.85 ALDH1A1 (0.62) MAPTMEN1POLBKMT2ATDP1
SCHEMBL14714242 0.85 MAPT (0.45) MAPTMEN1POLBKMT2ATDP1
SCHEMBL14696336 0.82 ERN1 (0.43) MAPTMEN1POLBKMT2ATDP1
SCHEMBL14713515 0.82 ERN1 (0.43) MAPTMEN1POLBKMT2ATDP1
SCHEMBL12952666 0.82 ERN1 (0.43) MAPTMEN1POLBKMT2ATDP1

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-8962670-B2 Anti-cancer agents UWM RESEARCH FOUNDATION, INC. (US) 2015-02-24 US disclosed
US-8637490-B2 Anti-cancer agents UWM RESEARCH FOUNDATION, INC. (US) 2014-01-28 US disclosed
US-20130045949-A1 ANTI-CANCER AGENTS UWM RESEARCH FOUNDATION, INC. (US) 2013-02-21 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-20130045949-A1 ANTI-CANCER AGENTS TP53, MCL1, HRAS MAPT 4804/4885MEN1 3549/4885POLB 650/4885

“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.