SCHEMBL16616359

SCHEMBL16616359

COc1cc(/C=C/C(=O)c2cccnc2Nc2ccc(O)cc2)cc(OC)c1OC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.57
LMNA P02545 3/20 0.57
MAPT P10636 1/20 0.57
KRAS P01116 3/20 0.55
BACE1 P56817 1/20 0.53
APP P05067 1/20 0.53
CYP1A1 P04798 2/20 0.52
CYP1A2 P05177 2/20 0.52
CYP1B1 Q16678 2/20 0.52
ABCG2 Q9UNQ0 1/20 0.51
MCL1 Q07820 1/20 0.51
CYP2C8 P10632 1/20 0.50
CYP2D6 P10635 1/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
ABCB1 P08183 1/20 0.49
KDM4E B2RXH2 3/20 0.48
HPGD P15428 3/20 0.48
NPSR1 Q6W5P4 2/20 0.47
HTT P42858 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
SCHEMBL16616365 1.00 ALDH1A1 (0.57) ALDH1A1LMNAMAPTKRASBACE1
SCHEMBL16616404 0.92 ALDH1A1 (0.58) ALDH1A1LMNAMAPTKRASAPP
SCHEMBL16616410 0.92 ALDH1A1 (0.58) ALDH1A1LMNAMAPTKRASAPP
SCHEMBL16616698 0.92 KRAS (0.60) ALDH1A1LMNAMAPTKRASAPP
SCHEMBL16616697 0.92 KRAS (0.60) ALDH1A1LMNAMAPTKRASAPP
SCHEMBL16616380 0.92 KRAS (0.60) ALDH1A1LMNAMAPTKRASAPP
SCHEMBL16616382 0.92 KRAS (0.60) ALDH1A1LMNAMAPTKRASAPP
SCHEMBL16616185 0.91 KRAS (0.54) ALDH1A1LMNAMAPTKRASAPP
SCHEMBL16616670 0.91 ALDH1A1 (0.57) ALDH1A1LMNAMAPTKRASAPP
SCHEMBL16616674 0.91 ALDH1A1 (0.57) ALDH1A1LMNAMAPTKRASAPP

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-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-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-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
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
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 ALDH1A1 1497/4885LMNA 1571/4885MAPT 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.