SCHEMBL16625592

SCHEMBL16625592

O=C(/C=C/c1cccnc1Nc1ccc(CO)cc1)c1ccc(Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.47
RAB9A P51151 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
DHODH Q02127 2/20 0.47
MAPT P10636 6/20 0.46
MAPK1 P28482 1/20 0.46
LMNA P02545 3/20 0.46
ATM Q13315 1/20 0.46
NPC1 O15118 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
HPGD P15428 1/20 0.43
CYP2C19 P33261 1/20 0.43
RECQL P46063 1/20 0.43
GPR55 Q9Y2T6 1/20 0.43
TP53 P04637 1/20 0.42
CASP1 P29466 1/20 0.42

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
SCHEMBL16616849 0.92 SMN1; SMN2 (0.54) SMN1; SMN2RAB9AMEN1KMT2ADHODH
SCHEMBL16616847 0.92 SMN1; SMN2 (0.54) SMN1; SMN2RAB9AMEN1KMT2ADHODH
SCHEMBL16625590 0.90 DHODH (0.55) SMN1; SMN2RAB9AMEN1KMT2ADHODH
SCHEMBL16625555 0.90 CYP3A4 (0.47) SMN1; SMN2RAB9AMEN1KMT2ADHODH
SCHEMBL16616766 0.88 SMN1; SMN2 (0.50) SMN1; SMN2RAB9AMEN1KMT2ADHODH
SCHEMBL16616735 0.88 MAPT (0.52) SMN1; SMN2RAB9AMEN1KMT2ADHODH
SCHEMBL16616736 0.88 MAPT (0.52) SMN1; SMN2RAB9AMEN1KMT2ADHODH
SCHEMBL16616767 0.88 SMN1; SMN2 (0.50) SMN1; SMN2RAB9AMEN1KMT2ADHODH
SCHEMBL16616361 0.88 MAPT (0.54) SMN1; SMN2RAB9AMEN1KMT2ADHODH
SCHEMBL16616358 0.88 MAPT (0.54) 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 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 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.