SCHEMBL16616522

SCHEMBL16616522

COc1ccc(C(=O)/C=C/c2cccnc2Nc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.59
ALDH1A1 P00352 5/20 0.59
NPC1 O15118 5/20 0.59
RAB9A P51151 5/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
MAOB P27338 5/20 0.58
MAOA P21397 1/20 0.58
HTT P42858 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
CYP3A4 P08684 1/20 0.48
SNCA P37840 1/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
GAA P10253 1/20 0.47
ABCG2 Q9UNQ0 2/20 0.47
HPGD P15428 2/20 0.46
TP53 P04637 1/20 0.46
THRB P10828 1/20 0.46
KDM4E B2RXH2 1/20 0.46
MITF O75030 1/20 0.46

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
SCHEMBL16616523 1.00 MAPT (0.59) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL16616864 0.91 ALDH1A1 (0.57) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL16616863 0.91 ALDH1A1 (0.57) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL16616406 0.88 CYP1B1 (0.47) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL16616407 0.88 CYP1B1 (0.47) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL16616422 0.88 ABCG2 (0.52) MAPTALDH1A1HTTMEN1KMT2A
SCHEMBL16616419 0.88 ABCG2 (0.52) MAPTALDH1A1HTTMEN1KMT2A
SCHEMBL16616819 0.87 MAOB (0.56) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL16616821 0.87 MAOB (0.56) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL16616665 0.87 MAPT (0.54) MAPTALDH1A1NPC1RAB9AMAOB

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 6 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-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-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
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
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 MAPT 2681/4885ALDH1A1 1497/4885NPC1 1383/4885

“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.