SCHEMBL16616641

SCHEMBL16616641

COc1cc(Nc2ncccc2C=CC(=O)c2ccc(Cl)cc2)cc(OC)c1OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.56
MAPT P10636 4/20 0.56
CYP1A2 P05177 4/20 0.56
CYP2D6 P10635 3/20 0.56
HPGD P15428 2/20 0.56
NPC1 O15118 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
RECQL P46063 1/20 0.56
GPR55 Q9Y2T6 1/20 0.56
SMN1; SMN2 Q16637 3/20 0.50
ATM Q13315 2/20 0.50
KDM4E B2RXH2 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
CYP1A1 P04798 3/20 0.47
CYP1B1 Q16678 3/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
KRAS P01116 2/20 0.47

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
SCHEMBL16616637 1.00 LMNA (0.56) LMNAMAPTCYP1A2CYP2D6HPGD
SCHEMBL16616604 0.92 ABCB1 (0.51) LMNAMAPTCYP1A2CYP2D6HPGD
SCHEMBL16616607 0.92 ABCB1 (0.51) LMNAMAPTCYP1A2CYP2D6HPGD
SCHEMBL16616372 0.91 KRAS (0.57) LMNAMAPTCYP1A2CYP2D6NPC1
SCHEMBL16616244 0.91 CA1 (0.58) MAPTCYP1A2CYP2D6CYP3A4CYP1A1
SCHEMBL16616379 0.91 KRAS (0.57) LMNAMAPTCYP1A2CYP2D6NPC1
SCHEMBL16616238 0.91 CA1 (0.58) MAPTCYP1A2CYP2D6CYP3A4CYP1A1
SCHEMBL16616603 0.91 ABCB1 (0.56) CYP1A2CYP2D6CYP1A1CYP1B1KRAS
SCHEMBL16616602 0.91 ABCB1 (0.56) CYP1A2CYP2D6CYP1A1CYP1B1KRAS
SCHEMBL16616547 0.90 MAPT (0.56) LMNAMAPTCYP1A2CYP2D6HPGD

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 LMNA 1571/4885MAPT 2681/4885CYP1A2 387/4885

“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.