SCHEMBL16616614

SCHEMBL16616614

COc1ccc(Nc2ncccc2C=CC(=O)c2cccnc2Nc2ccc(O)cc2)cc1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.46
ALDH1A1 P00352 3/20 0.46
HTT P42858 2/20 0.46
NPC1 O15118 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
MEN1 O00255 5/20 0.44
KMT2A Q03164 5/20 0.44
MAPT P10636 4/20 0.44
NR1H4 Q96RI1 2/20 0.44
GAA P10253 1/20 0.44
LMNA P02545 1/20 0.44
MAPK1 P28482 3/20 0.43
PKM P14618 1/20 0.43
MAPK8 P45983 1/20 0.43
MAPK9 P45984 1/20 0.43
ABCG2 Q9UNQ0 6/20 0.43
ABCB1 P08183 3/20 0.43
MAOB P27338 3/20 0.43
ACHE P22303 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42

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
SCHEMBL16616612 1.00 RAB9A (0.46) RAB9AALDH1A1HTTNPC1NPSR1
SCHEMBL16616159 0.93 MAPK8 (0.51) RAB9AALDH1A1HTTNPC1NPSR1
SCHEMBL16616158 0.93 MAPK8 (0.51) RAB9AALDH1A1HTTNPC1NPSR1
SCHEMBL16616544 0.92 NPSR1 (0.56) RAB9AALDH1A1HTTNPC1NPSR1
SCHEMBL16616542 0.92 NPSR1 (0.56) RAB9AALDH1A1HTTNPC1NPSR1
SCHEMBL16616823 0.91 DHODH (0.50) RAB9AALDH1A1HTTNPC1NPSR1
SCHEMBL16616560 0.91 BRAF (0.47) RAB9AALDH1A1HTTNPC1NPSR1
SCHEMBL16616559 0.91 BRAF (0.47) RAB9AALDH1A1HTTNPC1NPSR1
SCHEMBL16616822 0.91 DHODH (0.50) RAB9AALDH1A1HTTNPC1NPSR1
SCHEMBL16616594 0.90 MAPK9 (0.47) RAB9AALDH1A1HTTNPC1NPSR1

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 RAB9A 1415/4885ALDH1A1 1497/4885HTT 903/4885

“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.