SCHEMBL16625588

SCHEMBL16625588

COc1ccc(Nc2ncccc2/C=C/C(=O)c2cccnc2Nc2cc(CO)c(CO)c(OC)c2)cc1OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 7/20 0.40
ABCB1 P08183 4/20 0.40
LMNA P02545 1/20 0.39
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
HTT P42858 2/20 0.39
PKM P14618 1/20 0.39
MAPK1 P28482 1/20 0.39
ALDH1A1 P00352 4/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MAPT P10636 3/20 0.38
POLB P06746 1/20 0.38
KDM4E B2RXH2 2/20 0.38
GAA P10253 1/20 0.38
MAPK8 P45983 1/20 0.37
MAPK9 P45984 1/20 0.37
PIK3CA P42336 1/20 0.37

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
SCHEMBL16625584 0.92 MEN1 (0.44) ABCG2LMNAMEN1KMT2AHTT
SCHEMBL16625543 0.90 ABCG2 (0.48) ABCG2ABCB1LMNAMEN1KMT2A
SCHEMBL16625583 0.89 AR (0.40) ABCG2ABCB1LMNAMEN1KMT2A
SCHEMBL16625589 0.87 TOP1 (0.40) ABCG2LMNAMEN1KMT2AHTT
SCHEMBL16616594 0.86 MAPK9 (0.47) ABCG2ABCB1LMNAMEN1KMT2A
SCHEMBL16616591 0.86 MAPK9 (0.47) ABCG2ABCB1LMNAMEN1KMT2A
SCHEMBL16625593 0.86 MEN1 (0.43) ABCG2ABCB1LMNAMEN1KMT2A
SCHEMBL16616158 0.85 MAPK8 (0.51) ABCG2ABCB1LMNAMEN1KMT2A
SCHEMBL16616159 0.85 MAPK8 (0.51) ABCG2ABCB1LMNAMEN1KMT2A
SCHEMBL16616612 0.85 RAB9A (0.46) ABCG2ABCB1LMNAMEN1KMT2A

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 ABCG2 289/4885ABCB1 537/4885LMNA 1571/4885

“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.