SCHEMBL16625563

SCHEMBL16625563

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 5/20 0.42
MEN1 O00255 8/20 0.42
KMT2A Q03164 8/20 0.42
RAB9A P51151 6/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
MAPT P10636 6/20 0.41
NPC1 O15118 4/20 0.41
AHR P35869 1/20 0.41
ALDH1A1 P00352 3/20 0.40
GAA P10253 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
BACE1 P56817 1/20 0.39
MT-CO2 P00403 1/20 0.38
LMNA P02545 1/20 0.37
MAPK1 P28482 1/20 0.36
TUBB4A P04350 1/20 0.36
TUBB P07437 1/20 0.36
TUBA3C P0DPH7 1/20 0.36

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
SCHEMBL16625558 0.92 DHODH (0.52) DHODHMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL16625579 0.90 DHODH (0.55) DHODHMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL16625590 0.90 DHODH (0.55) DHODHMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL16616362 0.89 DHODH (0.56) DHODHMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL16616360 0.89 DHODH (0.56) DHODHMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL16616866 0.87 DHODH (0.58) DHODHMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL16616804 0.87 RAB9A (0.58) DHODHMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL16616803 0.87 RAB9A (0.58) DHODHMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL16616867 0.87 DHODH (0.58) DHODHMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL16625594 0.84 SMN1; SMN2 (0.46) DHODHMEN1KMT2ARAB9ASMN1; 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 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 DHODH 637/4885MEN1 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.