SCHEMBL16616869

SCHEMBL16616869

COc1ccc(Nc2ncccc2/C=C/C(=O)c2cc(OC)c(OC)c(OC)c2)cc1OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 4/20 0.52
TNFRSF1A P19438 6/20 0.51
ABCG2 Q9UNQ0 4/20 0.49
ABCC1 P33527 1/20 0.48
CYP1A1 P04798 3/20 0.47
CYP1A2 P05177 3/20 0.47
CYP1B1 Q16678 3/20 0.47
TUBB1 Q9H4B7 2/20 0.47
KRAS P01116 1/20 0.47
TUBB4A P04350 1/20 0.47
TUBB P07437 1/20 0.47
TUBA3C P0DPH7 1/20 0.47
TUBA1B P68363 1/20 0.47
TUBA4A P68366 1/20 0.47
TUBB4B P68371 1/20 0.47
TUBB3 Q13509 1/20 0.47
TUBB2A Q13885 1/20 0.47
TUBB8 Q3ZCM7 1/20 0.47
TUBA3E Q6PEY2 1/20 0.47
TUBA1A Q71U36 1/20 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
SCHEMBL16616871 1.00 ABCB1 (0.52) ABCB1TNFRSF1AABCG2ABCC1CYP1A1
SCHEMBL16616532 0.94 ABCG2 (0.54) ABCB1TNFRSF1AABCG2ABCC1CYP1A1
SCHEMBL16616533 0.94 ABCG2 (0.54) ABCB1TNFRSF1AABCG2ABCC1CYP1A1
SCHEMBL16616602 0.94 ABCB1 (0.56) ABCB1TNFRSF1AABCG2CYP1A1CYP1A2
SCHEMBL16616603 0.94 ABCB1 (0.56) ABCB1TNFRSF1AABCG2CYP1A1CYP1A2
SCHEMBL16616972 0.93 ABCG2 (0.57) ABCB1TNFRSF1AABCG2CYP1A1CYP1A2
SCHEMBL16616971 0.93 ABCG2 (0.57) ABCB1TNFRSF1AABCG2CYP1A1CYP1A2
SCHEMBL16616594 0.90 MAPK9 (0.47) ABCB1ABCG2ABCC1KRASGAA
SCHEMBL16616591 0.90 MAPK9 (0.47) ABCB1ABCG2ABCC1KRASGAA
SCHEMBL16616423 0.90 POLB (0.56) ABCB1TNFRSF1AABCG2CYP1A1CYP1A2

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 3 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-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 ABCB1 537/4885TNFRSF1A 1747/4885ABCG2 289/4885

“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.