SCHEMBL16625583

SCHEMBL16625583

COc1cc(Nc2ncccc2C(=O)/C=C/c2cccnc2Nc2ccc([N+](=O)[O-])cc2)cc(CO)c1CO

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.40
MAPT P10636 7/20 0.39
ALDH1A1 P00352 5/20 0.39
RAB9A P51151 5/20 0.39
NPC1 O15118 4/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
KCNH2 Q12809 1/20 0.39
ABCG2 Q9UNQ0 3/20 0.38
HTT P42858 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
NTSR1 P30989 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
LMNA P02545 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ABCB1 P08183 1/20 0.37
ABCC1 P33527 1/20 0.37
GAA P10253 2/20 0.36
PPIF P30405 1/20 0.36
PPIA P62937 1/20 0.36

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 0.89 MEN1 (0.44) MAPTALDH1A1RAB9ANPC1MEN1
SCHEMBL16625588 0.89 ABCG2 (0.40) MAPTALDH1A1RAB9ANPC1MEN1
SCHEMBL16616413 0.88 KRAS (0.48) ARMAPTALDH1A1RAB9ANPC1
SCHEMBL16616414 0.88 KRAS (0.48) ARMAPTALDH1A1RAB9ANPC1
SCHEMBL16616304 0.87 MAPT (0.48) ARMAPTALDH1A1RAB9ANPC1
SCHEMBL16616303 0.87 MAPT (0.48) ARMAPTALDH1A1RAB9ANPC1
SCHEMBL16625586 0.84 RAB9A (0.45) ARMAPTALDH1A1RAB9ANPC1
SCHEMBL16625544 0.83 ALDH1A1 (0.44) MAPTALDH1A1RAB9ANPC1MEN1
SCHEMBL16625589 0.83 TOP1 (0.40) MAPTALDH1A1NPC1MEN1KMT2A
SCHEMBL16625580 0.81 BRAF (0.42) ARMAPTALDH1A1RAB9ANPC1

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 AR 3763/4885MAPT 2681/4885ALDH1A1 1497/4885

“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.