SCHEMBL14713552

SCHEMBL14713552

O=[N+]([O-])c1cc(-c2ccc(CO)c([N+](=O)[O-])c2)ccc1CO

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.52
MAPT P10636 2/20 0.52
POLB P06746 2/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
CYP1A2 P05177 1/20 0.46
SNCA P37840 2/20 0.46
ALDH1A1 P00352 3/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
PDK1 Q15118 1/20 0.41
TSHR P16473 1/20 0.41
ALOX15 P16050 1/20 0.40
ALOX12 P18054 1/20 0.40
ABCB1 P08183 1/20 0.39
CA12 O43570 1/20 0.39
ERN1 O75460 1/20 0.39

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
SCHEMBL23529914 0.91 CRHBP (0.57) TDP1MAPTPOLBMEN1KMT2A
SCHEMBL3124261 0.82 CYP1A2 (0.67) TDP1MAPTMEN1KMT2ACYP1A2
SCHEMBL31612277 0.82 ALDH1A1 (0.51) MAPTPOLBCYP1A2SNCAALDH1A1
SCHEMBL1589851 0.82 ALDH1A1 (0.51) MAPTPOLBCYP1A2SNCAALDH1A1
SCHEMBL9383321 0.82 SNCA (0.48) MEN1KMT2ACYP1A2SNCAALDH1A1
SCHEMBL9489208 0.82 MAPT (0.48) TDP1MAPTPOLBMEN1KMT2A
SCHEMBL8744287 0.81 ALOX15 (0.59) TDP1MAPTPOLBMEN1KMT2A
SCHEMBL888064 0.81 CYP1A2 (0.44) TDP1CYP1A2SNCAALDH1A1PDK1
SCHEMBL6520096 0.81 TDP1 (0.53) TDP1MAPTMEN1KMT2ACYP1A2
SCHEMBL67536 0.81 MAPK1 (0.53) TDP1MAPTMEN1KMT2ACYP1A2

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 6 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-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-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
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 TDP1 1550/4885MAPT 4804/4885POLB 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.