SCHEMBL16616423

SCHEMBL16616423

COc1ccc(Nc2ncccc2C=CC(=O)c2cc(OC)c(OC)c(OC)c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.56
GAA P10253 2/20 0.56
ABCB1 P08183 3/20 0.52
KRAS P01116 2/20 0.51
TNFRSF1A P19438 4/20 0.51
NPC1 O15118 1/20 0.50
ALDH1A1 P00352 1/20 0.50
HTT P42858 1/20 0.50
RAB9A P51151 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
MAOB P27338 1/20 0.49
ABCG2 Q9UNQ0 1/20 0.49
MAPT P10636 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
LMNA P02545 1/20 0.47
MAPK1 P28482 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP1A1 P04798 1/20 0.47
CYP1A2 P05177 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
SCHEMBL16616421 1.00 POLB (0.56) POLBGAAABCB1KRASTNFRSF1A
SCHEMBL16616875 0.92 ABCB1 (0.52) POLBGAAABCB1KRASTNFRSF1A
SCHEMBL16616870 0.92 ABCB1 (0.52) POLBGAAABCB1KRASTNFRSF1A
SCHEMBL16616379 0.92 KRAS (0.57) POLBGAAKRASTNFRSF1ANPC1
SCHEMBL16616372 0.92 KRAS (0.57) POLBGAAKRASTNFRSF1ANPC1
SCHEMBL16616217 0.92 TNFRSF1A (0.57) ABCB1KRASTNFRSF1ANPC1RAB9A
SCHEMBL16616215 0.92 TNFRSF1A (0.57) ABCB1KRASTNFRSF1ANPC1RAB9A
SCHEMBL16616603 0.92 ABCB1 (0.56) ABCB1KRASTNFRSF1AABCG2CYP1A1
SCHEMBL16616602 0.92 ABCB1 (0.56) ABCB1KRASTNFRSF1AABCG2CYP1A1
SCHEMBL16616909 0.91 KRAS (0.52) POLBGAAABCB1KRASTNFRSF1A

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 POLB 2850/4885GAA 1292/4885ABCB1 537/4885

“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.