SCHEMBL16616480

SCHEMBL16616480

COc1ccc(/C=C/C(=O)c2cccnc2Nc2ccccc2)cc1OC

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 10/20 0.60
ACHE P22303 1/20 0.60
MAOB P27338 1/20 0.60
ABCB1 P08183 6/20 0.58
MEN1 O00255 5/20 0.57
KMT2A Q03164 5/20 0.57
RAB9A P51151 3/20 0.57
NPC1 O15118 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
STAT1 P42224 1/20 0.57
CYP1A2 P05177 3/20 0.54
CYP3A4 P08684 3/20 0.54
CYP1A1 P04798 2/20 0.54
CYP2D6 P10635 2/20 0.54
CYP1B1 Q16678 2/20 0.54
KDM4E B2RXH2 3/20 0.53
PDE4D Q08499 2/20 0.52
PDE4A P27815 1/20 0.52
PDE4B Q07343 1/20 0.52
PDE4C Q08493 1/20 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
SCHEMBL16616483 1.00 ABCG2 (0.60) ABCG2ACHEMAOBABCB1MEN1
SCHEMBL16616974 0.93 ABCG2 (0.58) ABCG2ACHEMAOBABCB1MEN1
SCHEMBL16616976 0.93 ABCG2 (0.58) ABCG2ACHEMAOBABCB1MEN1
SCHEMBL16616862 0.92 CYP1A1 (0.55) ABCG2ACHEMAOBABCB1MEN1
SCHEMBL16616503 0.92 ALDH1A1 (0.58) ABCG2ACHEMAOBABCB1MEN1
SCHEMBL16616187 0.92 ABCG2 (0.57) ABCG2ACHEMAOBABCB1MEN1
SCHEMBL16616860 0.92 CYP1A1 (0.55) ABCG2ACHEMAOBABCB1MEN1
SCHEMBL16616499 0.92 ALDH1A1 (0.58) ABCG2ACHEMAOBABCB1MEN1
SCHEMBL16616189 0.92 ABCG2 (0.57) ABCG2ACHEMAOBABCB1MEN1
SCHEMBL16616734 0.91 TUBB1 (0.50) ABCG2ACHEMAOBABCB1MEN1

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 ABCG2 289/4885ACHE 4525/4885MAOB 2125/4885

“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.