SCHEMBL5648007

SCHEMBL5648007

Cc1cc2cc(CO)cnc2cc1NC(=O)c1ccc(Br)cc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.56
MCHR1 Q99705 4/20 0.56
ALDH1A1 P00352 1/20 0.45
MAPT P10636 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TRPV1 Q8NER1 3/20 0.44
DHODH Q02127 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
CCNA2 P20248 1/20 0.40
CDK2 P24941 1/20 0.40
CCNA1 P78396 1/20 0.40
KDR P35968 1/20 0.39
SAE1 Q9UBE0 1/20 0.39
UBA2 Q9UBT2 1/20 0.39
HDAC1 Q13547 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38

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
SCHEMBL14587882 0.90 HTR2C (0.55) HTR2CMCHR1ALDH1A1MAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL5648457 0.89 HTR2C (0.54) HTR2CMCHR1ALDH1A1MAPTSMN1; SMN2
SCHEMBL27611493 0.85 HTR2C (0.58) HTR2CMCHR1ALDH1A1MAPTSMN1; SMN2
SCHEMBL5645354 0.84 MCHR1 (0.78) HTR2CMCHR1HDAC1
SCHEMBL5649248 0.84 HTR2C (0.48) HTR2CMCHR1ALDH1A1MAPTSMN1; SMN2
SCHEMBL5647726 0.84 MCHR1 (0.77) HTR2CMCHR1HDAC1
SCHEMBL5648915 0.80 MCHR1 (0.57) HTR2CMCHR1
SCHEMBL5645579 0.76 MCHR1 (0.73) HTR2CMCHR1MAPTSMN1; SMN2
SCHEMBL5647358 0.76 MCHR1 (0.57) HTR2CMCHR1TRPV1TDP1CCNA2
SCHEMBL5647423 0.75 MCHR1 (0.58) HTR2CMCHR1SMN1; SMN2MEN1KMT2A

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 HTR2C 36/4885MCHR1 4/4885ALDH1A1 1174/4885

“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.