SCHEMBL1377784

SCHEMBL1377784

COc1cc([N+](=O)[O-])c2ncccc2c1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.50
ALDH1A1 P00352 10/20 0.50
MEN1 O00255 8/20 0.50
KMT2A Q03164 8/20 0.50
KDM4E B2RXH2 7/20 0.50
LMNA P02545 7/20 0.50
L3MBTL1 Q9Y468 6/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
CTSB P07858 3/20 0.50
GAA P10253 3/20 0.50
IDO1 P14902 2/20 0.50
TDO2 P48775 2/20 0.50
HTT P42858 4/20 0.48
NPSR1 Q6W5P4 2/20 0.48
MCL1 Q07820 1/20 0.48
TDP1 Q9NUW8 4/20 0.47
HSP90AA1 P07900 3/20 0.47
OPRK1 P41145 2/20 0.47
CASP6 P55212 2/20 0.47
NPC1 O15118 1/20 0.47

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
SCHEMBL10943147 0.90 CTSB (0.47) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL10944208 0.87 CTSB (0.48) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL10943926 0.86 CTSB (0.50) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL8901804 0.86 MEN1 (0.54) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL10945603 0.85 CTSB (0.45) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL10944706 0.85 MAPT (0.59) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL5186834 0.85 CASP6 (0.60) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL10945384 0.85 G6PD (0.60) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL10942788 0.84 CTSB (0.48) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL10943623 0.84 CTSB (0.48) MAPTALDH1A1MEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4727233-B2 2011-07-20 JP claimed
US-6979740-B2 Process for preparation of ring-substituted 8-aminoquinoline analogs as antimalarial agents NATIONAL INSTITUTE OF PHARMACEUTICAL EDUCATION AND RESEARCH (IN) 2005-12-27 US claimed
US-20040192724-A1 Process for preparation of ring-substituted 8-aminoquinoline analogs as antimalarial agents NATIONAL INSTITUTE OF PHARMACEUTICAL EDUCATION AND RESEARCH DEPARTMENT OF PHARMACEUTICAL TECHNOLOGY (IN) 2004-09-30 US claimed
US-20120022070-A1 Heat Shock Protein 90 Inhibitors, Methods Of Preparing Same, And Methods For Their Use EMORY UNIVERSITY (US) 2012-01-26 US disclosed
US-20120022070-A1 Heat Shock Protein 90 Inhibitors, Methods Of Preparing Same, And Methods For Their Use EMORY UNIVERSITY (US) 2012-01-26 US disclosed
WO-2010042500-A2 HEAT SHOCK PROTEIN 90 INHIBITORS, METHODS OF PREPARING SAME, AND METHODS FOR THEIR USE EMORY UNIVERSITY (US) 2010-04-15 WO disclosed
US-6979740-B2 Process for preparation of ring-substituted 8-aminoquinoline analogs as antimalarial agents NATIONAL INSTITUTE OF PHARMACEUTICAL EDUCATION AND RESEARCH (IN) 2005-12-27 US disclosed
EP-1606263-A1 RING-SUBSTITUTED 8-AMINOQUINOLINE DERIVATIVES AS ANTIMALARIAL AGENTS Council of Scientific and Industrial Research (IN) 2005-12-21 EP disclosed
WO-2004085402-A1 RING-SUBSTITUTED 8-AMINOQUNOLINE DERIVATES AS ANTIMALARIAL AGENTS COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2004-10-07 WO disclosed
US-20040192724-A1 Process for preparation of ring-substituted 8-aminoquinoline analogs as antimalarial agents NATIONAL INSTITUTE OF PHARMACEUTICAL EDUCATION AND RESEARCH DEPARTMENT OF PHARMACEUTICAL TECHNOLOGY (IN) 2004-09-30 US disclosed
US-4167638-A Process for production of 8-NHR quinolines THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) 1979-09-11 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-20040192724-A1 Process for preparation of ring-substituted 8-aminoquinoline analogs as antimalarial agents QDPR, SLC11A2, CYP2C8 MAPT 4223/4885ALDH1A1 673/4885MEN1 2478/4885
US-20120022070-A1 Heat Shock Protein 90 Inhibitors, Methods Of Preparing Same, And Methods For Their Use HSP90AB1, HSP90AA1, HSP90AB2P MAPT 357/4885ALDH1A1 2606/4885MEN1 4501/4885

“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.