SCHEMBL3137397

SCHEMBL3137397

O=C1c2ccccc2C(=O)N1C/C(F)=C1/CCCN(OC(=O)C(F)(F)F)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.39
CA9 Q16790 1/20 0.39
ALDH1A1 P00352 8/20 0.38
LMNA P02545 1/20 0.38
PKM P14618 1/20 0.38
KMT2A Q03164 4/20 0.37
MEN1 O00255 3/20 0.37
KDM4E B2RXH2 2/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
GAA P10253 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 2/20 0.36
MAPK1 P28482 1/20 0.35
NPSR1 Q6W5P4 2/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
HPGD P15428 1/20 0.35
POLB P06746 1/20 0.34

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
SCHEMBL3135729 1.00 CA12 (0.39) CA12CA9ALDH1A1LMNAPKM
SCHEMBL3126571 0.89 CA12 (0.37) CA12CA9ALDH1A1LMNAPKM
SCHEMBL3135855 0.89 CA12 (0.37) CA12CA9ALDH1A1LMNAPKM
SCHEMBL13797927 0.81 HSD17B10 (0.43) CA12CA9ALDH1A1LMNAKMT2A
SCHEMBL3135732 0.79 ALDH1A1 (0.35) CA12CA9ALDH1A1LMNAPKM
SCHEMBL3126790 0.79 ALDH1A1 (0.35) CA12CA9ALDH1A1LMNAPKM
SCHEMBL3138673 0.77 ALDH1A1 (0.44) ALDH1A1LMNAKMT2AMEN1GAA
SCHEMBL4781657 0.77 HSD17B10 (0.42) ALDH1A1KMT2AMEN1GAAHSD17B10
SCHEMBL4781650 0.77 HSD17B10 (0.42) ALDH1A1KMT2AMEN1GAAHSD17B10
SCHEMBL3133513 0.76 CA12 (0.48) CA12CA9ALDH1A1LMNAKMT2A

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
WO-2010056633-A2 7-AMINO ALKYLIDENYL-HETEROCYCLIC QUINOLONES AND NAPHTHYRIDONES JANSSEN PHARMACEUTICA NV (BE) 2010-05-20 WO disclosed
US-20090156577-A1 7-AMINO ALKYLIDENYL-HETEROCYCLIC QUINOLONES AND NAPHTHYRIDONES JANSSEN PHARMACEUTICA NV (BE) 2009-06-18 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-20090156577-A1 7-AMINO ALKYLIDENYL-HETEROCYCLIC QUINOLONES AND NAPHTHYRIDONES NQO2, QRFPR, NQO1 CA12 3602/4885CA9 1820/4885ALDH1A1 1307/4885

“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.