SCHEMBL16625558

SCHEMBL16625558

O=C(/C=C/c1cccnc1Nc1ccccc1)c1cccnc1Nc1ccc(CO)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 6/20 0.52
MEN1 O00255 13/20 0.49
KMT2A Q03164 13/20 0.49
MAPT P10636 9/20 0.49
ALDH1A1 P00352 5/20 0.49
GAA P10253 2/20 0.49
RAB9A P51151 6/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
NPSR1 Q6W5P4 2/20 0.44
MAPK1 P28482 2/20 0.44
NPC1 O15118 4/20 0.43
HTT P42858 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
AHR P35869 1/20 0.42
LMNA P02545 3/20 0.40
KDR P35968 1/20 0.40
POLB P06746 1/20 0.39
PKM P14618 2/20 0.38
TDP1 Q9NUW8 2/20 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
SCHEMBL16625563 0.92 DHODH (0.42) DHODHMEN1KMT2AMAPTALDH1A1
SCHEMBL16625590 0.91 DHODH (0.55) DHODHMEN1KMT2AMAPTALDH1A1
SCHEMBL16625579 0.91 DHODH (0.55) DHODHMEN1KMT2AMAPTALDH1A1
SCHEMBL16616362 0.87 DHODH (0.56) DHODHMEN1KMT2AMAPTALDH1A1
SCHEMBL16616360 0.87 DHODH (0.56) DHODHMEN1KMT2AMAPTALDH1A1
SCHEMBL16616163 0.86 DHODH (0.63) DHODHMEN1KMT2AMAPTALDH1A1
SCHEMBL16616161 0.86 DHODH (0.63) DHODHMEN1KMT2AMAPTALDH1A1
SCHEMBL16625594 0.85 SMN1; SMN2 (0.46) DHODHMEN1KMT2AMAPTALDH1A1
SCHEMBL16625593 0.84 MEN1 (0.43) MEN1KMT2AMAPTALDH1A1GAA
SCHEMBL16616659 0.83 MEN1 (0.65) DHODHMEN1KMT2AMAPTALDH1A1

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.