SCHEMBL16616672

SCHEMBL16616672

O=C(/C=C/c1cccnc1Nc1ccc(Cl)cc1Cl)c1cccnc1Nc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.44
RAB9A P51151 6/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
DHODH Q02127 3/20 0.44
ALDH1A1 P00352 4/20 0.43
NPC1 O15118 4/20 0.43
MAPT P10636 4/20 0.43
KCNH2 Q12809 1/20 0.43
HPGD P15428 1/20 0.42
PIK3CA P42336 1/20 0.41
PIK3CB P42338 1/20 0.41
PIK3CG P48736 1/20 0.41
EGFR P00533 3/20 0.41
HTT P42858 3/20 0.39
MAOB P27338 1/20 0.39
AURKA O14965 1/20 0.38
PDPK1 O15530 1/20 0.38
JAK2 O60674 1/20 0.38
GMNN O75496 1/20 0.38

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
SCHEMBL16616675 1.00 SMN1; SMN2 (0.44) SMN1; SMN2RAB9AMEN1KMT2ADHODH
SCHEMBL16616472 0.92 RAB9A (0.53) SMN1; SMN2RAB9AMEN1KMT2ADHODH
SCHEMBL16616470 0.92 RAB9A (0.53) SMN1; SMN2RAB9AMEN1KMT2ADHODH
SCHEMBL16638390 0.91 RAB9A (0.42) SMN1; SMN2RAB9AMEN1KMT2ADHODH
SCHEMBL16616792 0.88 SMN1; SMN2 (0.48) SMN1; SMN2RAB9AMEN1KMT2ADHODH
SCHEMBL16616794 0.88 SMN1; SMN2 (0.48) SMN1; SMN2RAB9AMEN1KMT2ADHODH
SCHEMBL16616331 0.88 DHODH (0.50) SMN1; SMN2RAB9AMEN1KMT2ADHODH
SCHEMBL16616330 0.88 DHODH (0.50) SMN1; SMN2RAB9AMEN1KMT2ADHODH
SCHEMBL16616173 0.87 DHODH (0.50) SMN1; SMN2RAB9AMEN1KMT2ADHODH
SCHEMBL16616175 0.87 DHODH (0.50) SMN1; SMN2RAB9AMEN1KMT2ADHODH

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 SMN1; SMN2 4456/4885RAB9A 1415/4885MEN1 2511/4885

“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.