SCHEMBL16616271

SCHEMBL16616271

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 3/20 0.53
MAPT P10636 6/20 0.46
RAB9A P51151 5/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
NPC1 O15118 4/20 0.46
ALDH1A1 P00352 3/20 0.46
KCNH2 Q12809 1/20 0.46
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
ABCG2 Q9UNQ0 2/20 0.44
KDR P35968 1/20 0.44
TUBB4A P04350 1/20 0.43
TUBB P07437 1/20 0.43
TUBA3C P0DPH7 1/20 0.43
TUBA1B P68363 1/20 0.43
TUBA4A P68366 1/20 0.43
TUBB4B P68371 1/20 0.43
TUBB3 Q13509 1/20 0.43
TUBB2A Q13885 1/20 0.43

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
SCHEMBL16616274 1.00 DHODH (0.53) DHODHMAPTRAB9AMEN1KMT2A
SCHEMBL16616502 0.92 DHODH (0.47) DHODHMAPTRAB9AMEN1KMT2A
SCHEMBL16616500 0.92 DHODH (0.47) DHODHMAPTRAB9AMEN1KMT2A
SCHEMBL16616286 0.92 MEN1 (0.50) DHODHMAPTRAB9AMEN1KMT2A
SCHEMBL16616288 0.92 MEN1 (0.50) DHODHMAPTRAB9AMEN1KMT2A
SCHEMBL16616715 0.91 RAB9A (0.47) DHODHMAPTRAB9AMEN1KMT2A
SCHEMBL16616713 0.91 RAB9A (0.47) DHODHMAPTRAB9AMEN1KMT2A
SCHEMBL16616472 0.90 RAB9A (0.53) DHODHMAPTRAB9AMEN1KMT2A
SCHEMBL16616470 0.90 RAB9A (0.53) DHODHMAPTRAB9AMEN1KMT2A
SCHEMBL16616161 0.87 DHODH (0.63) DHODHMAPTRAB9AMEN1KMT2A

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 DHODH 637/4885MAPT 2681/4885RAB9A 1415/4885

“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.