SCHEMBL11072978

SCHEMBL11072978

COc1cc([N+](=O)[O-])c2nc(Cl)ccc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MERTK Q12866 1/20 0.55
MAPT P10636 4/20 0.46
KMT2A Q03164 3/20 0.46
ALDH1A1 P00352 3/20 0.43
HTT P42858 1/20 0.43
FGFR4 P22455 2/20 0.43
RPS6KB2 Q9UBS0 1/20 0.43
PIN1 Q13526 1/20 0.42
MAPK1 P28482 3/20 0.42
MEN1 O00255 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
KDM4E B2RXH2 1/20 0.42
G6PD P11413 1/20 0.42
PKM P14618 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
APOBEC3G Q9HC16 1/20 0.42
LMNA P02545 2/20 0.42
AGTR1 P30556 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CYP19A1 P11511 1/20 0.42

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
SCHEMBL11545271 0.85 MAPT (0.49) MERTKMAPTKMT2AALDH1A1HTT
SCHEMBL12120523 0.84 TXNRD1 (0.47) MAPTKMT2AALDH1A1HTTMAPK1
SCHEMBL10622390 0.84 RELA (0.52) MAPTKMT2AALDH1A1HTTMAPK1
SCHEMBL4728549 0.81 RELA (0.43) MERTKMAPTKMT2AALDH1A1HTT
SCHEMBL11544441 0.79 KMT2A (0.51) MAPTKMT2AALDH1A1HTTMAPK1
SCHEMBL11545397 0.78 XDH (0.45) MERTKMAPTKMT2AALDH1A1HTT
SCHEMBL11547830 0.77 TXNRD1 (0.46) MAPTHTTPIN1MAPK1NPSR1
SCHEMBL1378967 0.77 HSP90AA1 (0.62) MAPTKMT2AALDH1A1HTTMAPK1
SCHEMBL11548951 0.76 ADORA3 (0.44) MAPTKMT2AALDH1A1HTTMAPK1
Hydrochloric Acid SCHEMBL11543518 0.74 MAPT (0.38) MAPTKMT2AALDH1A1HTTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024049976-A1 N-METHYL-4-(QUINOLIN-2-YL)PYRIDIN-2-AMINE COMPOUNDS ABBVIE INC. (US) 2024-03-07 WO disclosed
US-20110281908-A1 Aminoquinoline Derived Heat Shock Protein 90 Inhibitors, Methods Of Preparing Same, And Methods For Their Use EMORY UNIVERSITY (US) 2011-11-17 US disclosed
US-20110281908-A1 Aminoquinoline Derived Heat Shock Protein 90 Inhibitors, Methods Of Preparing Same, And Methods For Their Use EMORY UNIVERSITY (US) 2011-11-17 US disclosed
US-4431807-A PARASITICIDES; MALARIA; TISSUE AND BLOOD DISORDERS THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) 1984-02-14 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 (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-20110281908-A1 Aminoquinoline Derived Heat Shock Protein 90 Inhibitors, Methods Of Preparing Same, And Methods For Their Use HSP90AB1, HSP90AB2P, HSP90AA1 MERTK 2154/4885MAPT 142/4885KMT2A 2338/4885

“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.