SCHEMBL16625593

SCHEMBL16625593

COc1ccc(Nc2ncccc2/C=C/C(=O)c2cccnc2Nc2ccc(CO)cc2)cc1CO

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.43
KMT2A Q03164 8/20 0.43
MAPT P10636 8/20 0.43
RAB9A P51151 4/20 0.42
ALDH1A1 P00352 3/20 0.42
NPSR1 Q6W5P4 3/20 0.42
NPC1 O15118 3/20 0.42
HTT P42858 2/20 0.42
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
MAPK1 P28482 2/20 0.40
PKM P14618 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ABCB1 P08183 2/20 0.39
ABCG2 Q9UNQ0 2/20 0.39
LMNA P02545 2/20 0.38
AHR P35869 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
AR P10275 1/20 0.37
MAOB P27338 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
SCHEMBL16625562 0.91 MEN1 (0.41) MEN1KMT2AMAPTRAB9AALDH1A1
SCHEMBL16625588 0.86 ABCG2 (0.40) MEN1KMT2AMAPTRAB9AALDH1A1
SCHEMBL16625558 0.84 DHODH (0.52) MEN1KMT2AMAPTRAB9AALDH1A1
SCHEMBL16625580 0.83 BRAF (0.42) MEN1KMT2AMAPTRAB9AALDH1A1
SCHEMBL16625570 0.83 ABCG2 (0.51) MEN1KMT2AMAPTRAB9AALDH1A1
SCHEMBL16625560 0.83 MEN1 (0.43) MEN1KMT2AMAPTRAB9AALDH1A1
SCHEMBL16616159 0.83 MAPK8 (0.51) MEN1KMT2AMAPTRAB9AALDH1A1
SCHEMBL16616158 0.83 MAPK8 (0.51) MEN1KMT2AMAPTRAB9AALDH1A1
SCHEMBL16625613 0.83 DHODH (0.44) MEN1KMT2AMAPTRAB9AALDH1A1
SCHEMBL16625584 0.83 MEN1 (0.44) MEN1KMT2AMAPTRAB9AALDH1A1

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 MEN1 2511/4885KMT2A 2973/4885MAPT 2681/4885

“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.