SCHEMBL2286089

SCHEMBL2286089

O=C(Nc1cccc(F)n1)c1cc(-c2ccc(Cl)cc2)nc2ccccc12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.62
STAT3 P40763 1/20 0.60
CYP3A4 P08684 2/20 0.58
LMNA P02545 3/20 0.56
HPGD P15428 3/20 0.56
MCL1 Q07820 1/20 0.56
MEN1 O00255 6/20 0.56
KMT2A Q03164 6/20 0.56
KDM4E B2RXH2 5/20 0.56
USP2 O75604 1/20 0.56
TSHR P16473 1/20 0.56
MAPK1 P28482 1/20 0.56
HSD17B10 Q99714 1/20 0.56
HTT P42858 3/20 0.56
PTGER4 P35408 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.55
TACR3 P29371 1/20 0.55
MAPT P10636 3/20 0.55
NPSR1 Q6W5P4 1/20 0.54
POLB P06746 1/20 0.54

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
SCHEMBL2285157 0.91 POLB (0.60) ALDH1A1CYP3A4LMNAHPGDMEN1
SCHEMBL2281123 0.90 MEN1 (0.62) ALDH1A1STAT3CYP3A4LMNAHPGD
SCHEMBL2286108 0.87 CYP3A4 (0.69) ALDH1A1CYP3A4LMNAHPGDMEN1
SCHEMBL2283172 0.83 KDM4E (0.68) ALDH1A1CYP3A4LMNAHPGDMEN1
SCHEMBL2281113 0.83 MAPT (0.64) ALDH1A1HPGDMEN1KMT2AKDM4E
SCHEMBL2285437 0.81 DHODH (0.55) ALDH1A1CYP3A4LMNAHPGDMEN1
SCHEMBL2291034 0.78 DHODH (0.80) ALDH1A1LMNAHPGDKMT2AKDM4E
SCHEMBL29788462 0.78 DHODH (0.80) ALDH1A1LMNAHPGDKMT2AKDM4E
SCHEMBL2285427 0.77 PLA2G2A (0.67) CYP3A4MEN1KMT2AKDM4ETACR3
SCHEMBL2292084 0.77 TACR3 (0.57) CYP3A4MEN1KMT2AKDM4ETACR3

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-20110207773-A1 NOVEL PHENYL-QUINOLINE-CARBOXYLIC ACID PYRIDINE DERIVATIVES USEFUL AS MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS NEUROSEARCH A/S (DK) 2011-08-25 US claimed
US-20110207773-A1 NOVEL PHENYL-QUINOLINE-CARBOXYLIC ACID PYRIDINE DERIVATIVES USEFUL AS MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS NEUROSEARCH A/S (DK) 2011-08-25 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-20110207773-A1 NOVEL PHENYL-QUINOLINE-CARBOXYLIC ACID PYRIDINE DERIVATIVES USEFUL AS MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS CHRNA5, CHRNA10, CHRNA6 ALDH1A1 1273/4885STAT3 902/4885CYP3A4 1663/4885

“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.