SCHEMBL5645579

SCHEMBL5645579

Cc1cc2cc(CCl)cnc2cc1NC(=O)c1ccc(-c2ccc(F)cc2)cc1

nearest known ligand 0.73

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 13/20 0.73
HTR2C P28335 9/20 0.73
TP53 P04637 2/20 0.45
ABL1 P00519 1/20 0.43
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KCNQ3 O43525 1/20 0.41
KCNQ2 O43526 1/20 0.41
KCNE1 P15382 1/20 0.41
KCNQ1 P51787 1/20 0.41
BACE1 P56817 1/20 0.41
PTPN1 P18031 1/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL5644842 0.88 MCHR1 (0.70) MCHR1HTR2CTP53ABL1
SCHEMBL5646648 0.86 MCHR1 (0.68) MCHR1HTR2CTP53MAPTSMN1; SMN2
SCHEMBL14587882 0.86 HTR2C (0.55) MCHR1HTR2CMAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL5648457 0.85 HTR2C (0.54) MCHR1HTR2CMAPTSMN1; SMN2
SCHEMBL5647406 0.84 MCHR1 (1.00) MCHR1HTR2C
SCHEMBL5650509 0.84 MCHR1 (0.98) MCHR1HTR2C
SCHEMBL5649184 0.84 MCHR1 (0.98) MCHR1HTR2C
SCHEMBL5651146 0.82 MCHR1 (0.85) MCHR1HTR2C
SCHEMBL5645508 0.82 MCHR1 (0.71) MCHR1HTR2CTP53MAPTSMN1; SMN2
SCHEMBL5652103 0.81 MCHR1 (0.73) MCHR1HTR2C

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 MCHR1 4/4885HTR2C 36/4885TP53 4421/4885

“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.