SCHEMBL16616622

SCHEMBL16616622

COc1ccc(C(=O)C=Cc2cccnc2Nc2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.57
MAPT P10636 8/20 0.56
MEN1 O00255 6/20 0.56
KMT2A Q03164 6/20 0.56
ALDH1A1 P00352 5/20 0.56
RAB9A P51151 4/20 0.56
NPSR1 Q6W5P4 2/20 0.56
MAPK1 P28482 1/20 0.56
NPC1 O15118 3/20 0.55
HTT P42858 1/20 0.55
CYP1B1 Q16678 2/20 0.54
HSPD1 P10809 1/20 0.54
TNFRSF1A P19438 1/20 0.54
HSPE1 P61604 1/20 0.54
CYP3A4 P08684 3/20 0.54
ABCG2 Q9UNQ0 1/20 0.53
LMNA P02545 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.52
KDM4E B2RXH2 1/20 0.52
MITF O75030 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
SCHEMBL16616620 1.00 MAOB (0.57) MAOBMAPTMEN1KMT2AALDH1A1
SCHEMBL16616863 0.95 ALDH1A1 (0.57) MAOBMAPTMEN1KMT2AALDH1A1
SCHEMBL16616864 0.95 ALDH1A1 (0.57) MAOBMAPTMEN1KMT2AALDH1A1
SCHEMBL16616529 0.91 ALDH1A1 (0.53) MAOBMAPTMEN1KMT2AALDH1A1
SCHEMBL16616527 0.91 ALDH1A1 (0.53) MAOBMAPTMEN1KMT2AALDH1A1
SCHEMBL16616665 0.91 MAPT (0.54) MAOBMAPTMEN1KMT2AALDH1A1
SCHEMBL16616667 0.91 MAPT (0.54) MAOBMAPTMEN1KMT2AALDH1A1
SCHEMBL16616302 0.90 MAOB (0.56) MAOBMAPTMEN1KMT2AALDH1A1
SCHEMBL16616300 0.90 MAOB (0.56) MAOBMAPTMEN1KMT2AALDH1A1
SCHEMBL16616787 0.90 MAOB (0.56) MAOBMAPTMEN1KMT2AALDH1A1

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 MAOB 2125/4885MAPT 2681/4885MEN1 2511/4885

“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.