SCHEMBL16616803

SCHEMBL16616803

O=C(/C=C/c1cccnc1Nc1ccc(Cl)cc1)c1cccnc1Nc1ccc(O)cc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.58
MEN1 O00255 5/20 0.58
KMT2A Q03164 5/20 0.58
DHODH Q02127 4/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
NPC1 O15118 3/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MAPT P10636 5/20 0.43
AHR P35869 1/20 0.43
ALDH1A1 P00352 2/20 0.41
GAA P10253 2/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MAOA P21397 2/20 0.40
AR P10275 1/20 0.40
MAPK1 P28482 1/20 0.40
HSP90AA1 P07900 1/20 0.40
MAOB P27338 1/20 0.40
ABCG2 Q9UNQ0 1/20 0.39

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
SCHEMBL16616804 1.00 RAB9A (0.58) RAB9AMEN1KMT2ADHODHSMN1; SMN2
SCHEMBL16616794 0.91 SMN1; SMN2 (0.48) RAB9AMEN1KMT2ADHODHSMN1; SMN2
SCHEMBL16616792 0.91 SMN1; SMN2 (0.48) RAB9AMEN1KMT2ADHODHSMN1; SMN2
SCHEMBL16616360 0.91 DHODH (0.56) RAB9AMEN1KMT2ADHODHSMN1; SMN2
SCHEMBL16616362 0.91 DHODH (0.56) RAB9AMEN1KMT2ADHODHSMN1; SMN2
SCHEMBL16616844 0.90 DHODH (0.57) RAB9AMEN1KMT2ADHODHSMN1; SMN2
SCHEMBL16616841 0.90 DHODH (0.57) RAB9AMEN1KMT2ADHODHSMN1; SMN2
SCHEMBL16616356 0.90 DHODH (0.57) RAB9AMEN1KMT2ADHODHSMN1; SMN2
SCHEMBL16616353 0.90 DHODH (0.57) RAB9AMEN1KMT2ADHODHSMN1; SMN2
SCHEMBL16616735 0.90 MAPT (0.52) RAB9AMEN1KMT2ADHODHSMN1; SMN2

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 RAB9A 1415/4885MEN1 2511/4885KMT2A 2973/4885

“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.