SCHEMBL16701465

SCHEMBL16701465

O=C1Cc2c(cccc2[N+](=O)[O-])C(=O)O1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 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 3/20 0.41
ALDH1A1 P00352 6/20 0.41
ACHE P22303 1/20 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 1/20 0.40
POLB P06746 1/20 0.40
LMNA P02545 3/20 0.38
TSHR P16473 2/20 0.38
TP53 P04637 1/20 0.38
CYP1A2 P05177 1/20 0.38

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
SCHEMBL8499259 0.79 MAPT (0.66) MAPTRECQLKMT2AMCL1RXFP1
SCHEMBL332607 0.76 POLB (0.53) MAPTRECQLKMT2AMCL1RXFP1
SCHEMBL16701466 0.73 ACHE (0.55) MAPTRECQLKMT2AMCL1RXFP1
SCHEMBL13046531 0.73 S100A4 (0.47) MAPTRECQLKMT2AMCL1RXFP1
SCHEMBL1306345 0.72 MAPT (0.49) MAPTRECQLKMT2AMCL1RXFP1
SCHEMBL10571400 0.72 TDP1 (0.43) MAPTRECQLKMT2AMCL1RXFP1
SCHEMBL166701 0.72 MAPT (0.56) MAPTRECQLKMT2AMCL1RXFP1
SCHEMBL35211484 0.72 MAPT (0.56) MAPTRECQLKMT2AMCL1RXFP1
SCHEMBL77252 0.72 S100A4 (0.63) MAPTRECQLKMT2AMCL1RXFP1
SCHEMBL29424353 0.72 S100A4 (0.63) MAPTRECQLKMT2AMCL1RXFP1

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 MAPT 1140/4885RECQL 31/4885KMT2A 337/4885

“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.