SCHEMBL16616787

SCHEMBL16616787

COc1ccc(C(=O)C=Cc2cccnc2Nc2ccc(Cl)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.56
MAOA P21397 1/20 0.55
MAPT P10636 8/20 0.55
NPC1 O15118 3/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
RAB9A P51151 3/20 0.55
LMNA P02545 4/20 0.53
HPGD P15428 2/20 0.53
CYP3A4 P08684 2/20 0.53
CYP1A2 P05177 2/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
RECQL P46063 1/20 0.53
GPR55 Q9Y2T6 1/20 0.53
ATM Q13315 2/20 0.53
KDM4E B2RXH2 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
ALDH1A1 P00352 2/20 0.52
NPSR1 Q6W5P4 2/20 0.52

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
SCHEMBL16616785 1.00 MAOB (0.56) MAOBMAOAMAPTNPC1SMN1; SMN2
SCHEMBL16616300 1.00 MAOB (0.56) MAOBMAOAMAPTNPC1SMN1; SMN2
SCHEMBL16616302 1.00 MAOB (0.56) MAOBMAOAMAPTNPC1SMN1; SMN2
SCHEMBL16616863 0.94 ALDH1A1 (0.57) MAOBMAPTNPC1SMN1; SMN2RAB9A
SCHEMBL16616864 0.94 ALDH1A1 (0.57) MAOBMAPTNPC1SMN1; SMN2RAB9A
SCHEMBL16616849 0.91 SMN1; SMN2 (0.54) MAOBMAPTNPC1SMN1; SMN2RAB9A
SCHEMBL16616847 0.91 SMN1; SMN2 (0.54) MAOBMAPTNPC1SMN1; SMN2RAB9A
SCHEMBL16616152 0.91 RAB9A (0.60) MAOBMAOAMAPTNPC1SMN1; SMN2
SCHEMBL16616150 0.91 RAB9A (0.60) MAOBMAOAMAPTNPC1SMN1; SMN2
SCHEMBL16616527 0.90 ALDH1A1 (0.53) MAOBMAPTNPC1SMN1; SMN2RAB9A

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-9006451-B1 2-anilinonicotinyl based chalcones useful as potential anticancer agents and process for preparation thereof COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2015-04-14 US disclosed
US-20150099888-A1 2-Anilinonicotinyl Based Chalcones Useful As Potential Anticancer Agents and Process for Preparation Thereof COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2015-04-09 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-20150099888-A1 2-Anilinonicotinyl Based Chalcones Useful As Potential Anticancer Agents and Process for Preparation Thereof HCCS, WEE2, WEE1 MAOB 2125/4885MAOA 3198/4885MAPT 2681/4885

“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.