SCHEMBL5645508

SCHEMBL5645508

O=C(Nc1ccc2cc(CCl)cnc2c1)c1ccc(-c2ccc(F)cc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 14/20 0.71
HTR2C P28335 13/20 0.71
PTPN1 P18031 2/20 0.52
KCNQ3 O43525 1/20 0.52
KCNQ2 O43526 1/20 0.52
KCNE1 P15382 1/20 0.52
KCNQ1 P51787 1/20 0.52
BACE1 P56817 1/20 0.52
PTPN11 Q06124 2/20 0.51
MAPT P10636 2/20 0.51
TP53 P04637 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
PTPN6 P29350 1/20 0.50

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
SCHEMBL5646747 0.90 MCHR1 (0.73) MCHR1HTR2CKCNQ3KCNQ2KCNE1
SCHEMBL5651597 0.83 MCHR1 (1.00) MCHR1HTR2C
SCHEMBL5646061 0.83 MCHR1 (0.98) MCHR1HTR2C
SCHEMBL6490307 0.83 MCHR1 (0.98) MCHR1HTR2C
SCHEMBL5645579 0.82 MCHR1 (0.73) MCHR1HTR2CPTPN1KCNQ3KCNQ2
SCHEMBL20762665 0.81 MCHR1 (0.60) MCHR1HTR2CPTPN1KCNQ3KCNQ2
SCHEMBL5646506 0.79 MCHR1 (0.80) MCHR1HTR2C
SCHEMBL5647773 0.78 MCHR1 (0.79) MCHR1HTR2C
SCHEMBL5647011 0.78 MCHR1 (0.77) MCHR1HTR2C
SCHEMBL5645754 0.78 MCHR1 (0.68) MCHR1HTR2CMAPTTP53SMN1; SMN2

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 36/4885PTPN1 1961/4885

“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.