SCHEMBL16701466

SCHEMBL16701466

O=C1Cc2cccc([N+](=O)[O-])c2C(=O)O1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.55
MAPT P10636 1/20 0.50
RECQL P46063 1/20 0.50
KMT2A Q03164 1/20 0.50
MCL1 Q07820 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
S100A4 P26447 2/20 0.47
PTPRC P08575 1/20 0.44
TDP1 Q9NUW8 2/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
GPR35 Q9HC97 2/20 0.40
ALDH1A1 P00352 2/20 0.39
HSD17B10 Q99714 2/20 0.39
CYP3A4 P08684 2/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37

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
SCHEMBL28381941 0.80 ACHE (0.58) ACHEMAPTRECQLKMT2AMCL1
SCHEMBL30740520 0.79 MAPT (0.66) ACHEMAPTRECQLKMT2AMCL1
SCHEMBL7439288 0.76 ACHE (0.54) ACHEMAPTRECQLKMT2AMCL1
SCHEMBL16701465 0.73 MAPT (0.50) ACHEMAPTRECQLKMT2AMCL1
SCHEMBL2680386 0.72 MAPT (0.57) ACHEMAPTRECQLKMT2AMCL1
SCHEMBL4694280 0.72 TDP2 (0.59) ACHEMAPTRECQLKMT2AMCL1
SCHEMBL8653951 0.72 S100A4 (0.52) ACHEMAPTRECQLKMT2AMCL1
SCHEMBL77252 0.72 S100A4 (0.63) ACHEMAPTRECQLKMT2AMCL1
SCHEMBL2331538 0.72 GRIA1 (0.38) MAPTKMT2ATDP1CA1CA2
SCHEMBL2832148 0.72 TDP2 (0.51) MAPTKMT2ATDP1ALDH1A1HSD17B10

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160367685-A1 DUPA-INDENOISOQUINOLINE CONJUGATES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-12-22 US disclosed
WO-2015069766-A1 DUPA-INDENOISOQUINOLINE CONJUGATES PURDUE RESEARCH FOUNDATION (US) 2015-05-14 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-20160367685-A1 DUPA-INDENOISOQUINOLINE CONJUGATES PDS5B, KLK3, PDS5A ACHE 1449/4885MAPT 1140/4885RECQL 31/4885

“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.