SCHEMBL5645535

SCHEMBL5645535

CC(=O)Nc1ccc2cc(CN(C)C)cnc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.56
MAPT P10636 4/20 0.56
NPC1 O15118 3/20 0.56
RAB9A P51151 3/20 0.56
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
GLA P06280 1/20 0.56
TNNI3 P19429 1/20 0.56
TNNT2 P45379 1/20 0.56
TNNC1 P63316 1/20 0.56
RUNX1 Q01196 1/20 0.56
CBFB Q13951 1/20 0.56
TERT O14746 1/20 0.47
PABPC1 P11940 1/20 0.47
MCHR1 Q99705 6/20 0.44
HTR2C P28335 2/20 0.43
ALDH1A1 P00352 2/20 0.43
LDHA P00338 1/20 0.43
TP53 P04637 1/20 0.41
STAT1 P42224 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
SCHEMBL5649400 0.85 KDM4E (0.60) KDM4EMAPTNPC1RAB9AMEN1
SCHEMBL5646415 0.84 KDM4E (0.59) KDM4EMAPTNPC1RAB9AMEN1
Hydrochloric Acid SCHEMBL5647115 0.83 KDM4E (0.57) KDM4EMAPTNPC1RAB9AMEN1
SCHEMBL5645754 0.80 MCHR1 (0.68) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL14619972 0.79 MCHR1 (0.56) MAPTNPC1RAB9AMCHR1HTR2C
SCHEMBL12948580 0.77 NPC1 (0.66) KDM4EMAPTNPC1RAB9AMEN1
SCHEMBL975217 0.77 KDM4E (0.60) KDM4EMAPTNPC1RAB9AMEN1
SCHEMBL5648736 0.77 MCHR1 (0.68) KDM4EMCHR1HTR2CALDH1A1
SCHEMBL20741514 0.76 KDM4E (0.64) KDM4EMAPTNPC1RAB9AMEN1
SCHEMBL2927953 0.76 KDM4E (0.55) KDM4EMAPTNPC1RAB9AMEN1

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
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
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 KDM4E 2112/4885MAPT 4557/4885NPC1 1091/4885

“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.