SCHEMBL5647589

SCHEMBL5647589

CC(=O)Nc1cccc(N)c1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.49
ALDH1A1 P00352 4/20 0.48
HPGD P15428 3/20 0.48
HDAC3 O15379 1/20 0.46
HDAC2 Q92769 1/20 0.46
MAOA P21397 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CYP2C19 P33261 2/20 0.43
POLB P06746 1/20 0.43
KDM4E B2RXH2 2/20 0.42
GAA P10253 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MAPK1 P28482 1/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL13414540 0.86 ALDH1A1 (0.57) ALDH1A1HPGDMAOAMEN1KMT2A
SCHEMBL20577985 0.83 MEN1 (0.49) HDAC1HDAC3HDAC2MEN1KMT2A
SCHEMBL5516360 0.81 ALDH1A1 (0.52) HDAC1ALDH1A1HPGDHDAC3HDAC2
SCHEMBL30368335 0.81 ALDH1A1 (0.52) HDAC1ALDH1A1HPGDMAOAMEN1
SCHEMBL1430696 0.81 ALDH1A1 (0.52) HDAC1ALDH1A1HPGDMAOAMEN1
SCHEMBL29904721 0.80 ALDH1A1 (0.61) HDAC1ALDH1A1HPGDHDAC3HDAC2
SCHEMBL463597 0.80 ALDH1A1 (0.61) HDAC1ALDH1A1HPGDHDAC3HDAC2
SCHEMBL7455097 0.79 ALDH1A1 (0.50) HDAC1ALDH1A1HPGDHDAC3HDAC2
SCHEMBL17724353 0.79 ALDH1A1 (0.66) ALDH1A1HPGDMAOAMEN1KMT2A
SCHEMBL5285258 0.79 ALDH1A1 (0.55) HDAC1ALDH1A1HPGDHDAC3HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7183415-B2 Quinoline compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-27 US disclosed
US-7183415-B2 Quinoline compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-27 US disclosed
US-7183415-B2 Quinoline compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-27 US disclosed
US-20050209213-A1 Quinoline compound TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2005-09-22 US disclosed
CN-1585751-A Quinoline compound TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2005-02-23 CN disclosed
EP-1447402-A1 QUINOLINE COMPOUND Takeda Chemical Industries, Ltd. (JP) 2004-08-18 EP 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-20050209213-A1 Quinoline compound MC1R, MC2R, TYR HDAC1 510/4885ALDH1A1 1174/4885HPGD 499/4885

“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.