SCHEMBL2285437

SCHEMBL2285437

O=C(Nc1cccc(F)n1)c1cc(-c2ccc(O)cc2)nc2ccc(F)cc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 4/20 0.55
ALDH1A1 P00352 3/20 0.50
MAPT P10636 3/20 0.50
GAA P10253 2/20 0.50
LMNA P02545 2/20 0.50
P4HB P07237 1/20 0.50
PLA2G2A P14555 1/20 0.49
MEN1 O00255 6/20 0.49
KMT2A Q03164 6/20 0.49
ESR1 P03372 1/20 0.48
ESR2 Q92731 1/20 0.48
POLB P06746 2/20 0.46
EPRS1 P07814 1/20 0.45
CYP3A4 P08684 1/20 0.45
KDM4E B2RXH2 4/20 0.44
USP2 O75604 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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 0.89 POLB (0.60) ALDH1A1MAPTGAALMNAMEN1
SCHEMBL2285427 0.88 PLA2G2A (0.67) DHODHMAPTPLA2G2AMEN1KMT2A
SCHEMBL2288986 0.82 AURKA (0.47) ALDH1A1MAPTGAALMNAP4HB
SCHEMBL2286089 0.81 ALDH1A1 (0.62) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL2292084 0.80 TACR3 (0.57) DHODHMAPTPLA2G2AMEN1KMT2A
SCHEMBL3232504 0.79 DHODH (0.80) DHODHALDH1A1GAAPLA2G2AMEN1
SCHEMBL2286108 0.77 CYP3A4 (0.69) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL2281123 0.76 MEN1 (0.62) ALDH1A1MAPTGAALMNAMEN1
SCHEMBL2283172 0.73 KDM4E (0.68) DHODHALDH1A1MAPTGAALMNA
SCHEMBL2281113 0.73 MAPT (0.64) DHODHALDH1A1MAPTGAAMEN1

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 DHODH 3446/4885ALDH1A1 1273/4885MAPT 609/4885

“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.