SCHEMBL16627430

SCHEMBL16627430

COc1cccc(Nc2ncccc2C(C)=O)c1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.81
KMT2A Q03164 6/20 0.81
MAPK1 P28482 2/20 0.81
HTT P42858 2/20 0.81
PKM P14618 1/20 0.81
MAPT P10636 5/20 0.78
ALDH1A1 P00352 3/20 0.67
POLB P06746 1/20 0.67
GAA P10253 1/20 0.60
RAB9A P51151 2/20 0.59
NPSR1 Q6W5P4 2/20 0.59
NPC1 O15118 1/20 0.59
GRM4 Q14833 2/20 0.55
CYP1A2 P05177 1/20 0.55
DHODH Q02127 4/20 0.55
MTNR1A P48039 1/20 0.52
MTNR1B P49286 1/20 0.52
LMNA P02545 1/20 0.51
AKR1C3 P42330 1/20 0.51
AKR1C2 P52895 1/20 0.51

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
SCHEMBL7281318 0.90 MEN1 (0.81) MEN1KMT2AMAPK1HTTPKM
SCHEMBL5078978 0.88 MEN1 (0.79) MEN1KMT2AMAPK1HTTPKM
SCHEMBL16616459 0.85 MEN1 (0.80) MEN1KMT2AMAPK1HTTPKM
SCHEMBL16638716 0.84 MEN1 (0.58) MEN1KMT2AMAPK1HTTPKM
SCHEMBL16616664 0.82 LMNA (0.58) MEN1KMT2AMAPK1HTTPKM
SCHEMBL846930 0.80 DHODH (0.76) MEN1KMT2AMAPK1HTTPKM
SCHEMBL30754730 0.80 MEN1 (0.65) MEN1KMT2AMAPK1HTTPKM
SCHEMBL16627416 0.80 ALDH1A1 (0.55) MEN1KMT2AMAPK1HTTPKM
SCHEMBL16627389 0.79 MEN1 (0.62) MEN1KMT2AMAPK1HTTPKM
SCHEMBL16616492 0.79 SMN1; SMN2 (0.55) MEN1KMT2AMAPK1HTTPKM

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 2973/4885MAPK1 781/4885

“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.