SCHEMBL16616113

SCHEMBL16616113

COc1ccc(C(=O)C=Cc2cccnc2Nc2ccc(Cl)cc2)cc1N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.50
LMNA P02545 4/20 0.50
HPGD P15428 2/20 0.50
CYP1A2 P05177 2/20 0.50
NPC1 O15118 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
RECQL P46063 1/20 0.50
GPR55 Q9Y2T6 1/20 0.50
ABCG2 Q9UNQ0 9/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
ATM Q13315 2/20 0.47
KDM4E B2RXH2 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ABCB1 P08183 4/20 0.44
RELA Q04206 1/20 0.42
MEN1 O00255 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL16616111 1.00 MAPT (0.50) MAPTLMNAHPGDCYP1A2NPC1
SCHEMBL16616374 0.91 MAOB (0.49) MAPTNPC1CYP3A4ABCG2ABCB1
SCHEMBL16616371 0.91 MAOB (0.49) MAPTNPC1CYP3A4ABCG2ABCB1
SCHEMBL16616261 0.91 CAPN1 (0.49) MAPTABCG2ABCB1RELADPP4
SCHEMBL16616259 0.91 CAPN1 (0.49) MAPTABCG2ABCB1RELADPP4
SCHEMBL16616464 0.91 ABCG2 (0.47) MAPTLMNACYP1A2NPC1CYP3A4
SCHEMBL16616463 0.91 ABCG2 (0.47) MAPTLMNACYP1A2NPC1CYP3A4
SCHEMBL16616573 0.91 ABCG2 (0.58) MAPTLMNAHPGDCYP1A2NPC1
SCHEMBL16616575 0.91 ABCG2 (0.58) MAPTLMNAHPGDCYP1A2NPC1
SCHEMBL16616566 0.91 RELA (0.51) MAPTCYP1A2CYP3A4CYP2D6ABCG2

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 MAPT 2681/4885LMNA 1571/4885HPGD 1283/4885

“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.