SCHEMBL12042913

SCHEMBL12042913

CSc1nccc(COc2ccccc2)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.56
CYSLTR2 Q9NS75 1/20 0.49
CYSLTR1 Q9Y271 1/20 0.49
MAPT P10636 2/20 0.43
FFAR4 Q5NUL3 1/20 0.43
FFAR1 O14842 1/20 0.43
NPC1 O15118 5/20 0.40
RAB9A P51151 5/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
HTT P42858 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
C1S P09871 1/20 0.39
POLB P06746 1/20 0.38
KCNA3 P22001 1/20 0.38
GRM5 P41594 2/20 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
SCHEMBL1722134 0.84 MRGPRX4 (0.46) KCNH2MAPTFFAR4FFAR1NPC1
SCHEMBL18216623 0.80 FFAR4 (0.43) MAPTFFAR4NPC1RAB9AMEN1
SCHEMBL20746692 0.78 KCNH2 (0.61) KCNH2CYSLTR2CYSLTR1MAPTFFAR1
SCHEMBL24394688 0.78 FFAR4 (0.43) MAPTFFAR4NPC1RAB9AMEN1
SCHEMBL30212491 0.76 SMN1; SMN2 (0.43) CYSLTR2CYSLTR1MAPTFFAR4NPC1
SCHEMBL18213818 0.75 RORC (0.41) MAPTFFAR4NPC1RAB9AMEN1
SCHEMBL17898216 0.75 KCNH2 (0.61) KCNH2CYSLTR2CYSLTR1MAPTFFAR1
SCHEMBL24394684 0.74 NPC1 (0.40) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL16861323 0.74 FFAR4 (0.41) CYSLTR2CYSLTR1FFAR4ALDH1A1POLB
SCHEMBL16861324 0.74 FFAR4 (0.48) FFAR4FFAR1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8278316-B2 Aza pyridone analogs useful as melanin concentrating hormone receptor-1 antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2012-10-02 US disclosed
US-20110319439-A1 AZA PYRIDONE ANALOGS USEFUL AS MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY 2011-12-29 US 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-20110319439-A1 AZA PYRIDONE ANALOGS USEFUL AS MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS MCHR1, MCHR2, MC1R KCNH2 3861/4885CYSLTR2 752/4885CYSLTR1 250/4885

“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.