SCHEMBL16616602

SCHEMBL16616602

COc1cc(Nc2ncccc2/C=C/C(=O)c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 5/20 0.56
ABCG2 Q9UNQ0 1/20 0.53
TNFRSF1A P19438 6/20 0.53
KRAS P01116 2/20 0.50
CYP1A1 P04798 2/20 0.50
CYP1A2 P05177 2/20 0.50
CYP1B1 Q16678 2/20 0.50
CYP2C8 P10632 1/20 0.48
CYP2D6 P10635 1/20 0.48
TUBB4A P04350 2/20 0.47
TUBB P07437 2/20 0.47
TUBA3C P0DPH7 2/20 0.47
TUBA1B P68363 2/20 0.47
TUBA4A P68366 2/20 0.47
TUBB4B P68371 2/20 0.47
TUBB3 Q13509 2/20 0.47
TUBB2A Q13885 2/20 0.47
TUBB8 Q3ZCM7 2/20 0.47
TUBA3E Q6PEY2 2/20 0.47
TUBA1A Q71U36 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
SCHEMBL16616603 1.00 ABCB1 (0.56) ABCB1ABCG2TNFRSF1AKRASCYP1A1
SCHEMBL16616532 0.94 ABCG2 (0.54) ABCB1ABCG2TNFRSF1ACYP1A1CYP1A2
SCHEMBL16616533 0.94 ABCG2 (0.54) ABCB1ABCG2TNFRSF1ACYP1A1CYP1A2
SCHEMBL16616869 0.94 ABCB1 (0.52) ABCB1ABCG2TNFRSF1AKRASCYP1A1
SCHEMBL16616871 0.94 ABCB1 (0.52) ABCB1ABCG2TNFRSF1AKRASCYP1A1
SCHEMBL16616215 0.94 TNFRSF1A (0.57) ABCB1ABCG2TNFRSF1AKRASCYP1A1
SCHEMBL16616217 0.94 TNFRSF1A (0.57) ABCB1ABCG2TNFRSF1AKRASCYP1A1
SCHEMBL16616238 0.92 CA1 (0.58) ABCB1ABCG2KRASCYP1A1CYP1A2
SCHEMBL16616372 0.92 KRAS (0.57) ABCG2TNFRSF1AKRASCYP1A1CYP1A2
SCHEMBL16616379 0.92 KRAS (0.57) ABCG2TNFRSF1AKRASCYP1A1CYP1A2

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 4 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
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 537/4885ABCG2 289/4885TNFRSF1A 1747/4885

“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.