SCHEMBL16627424

SCHEMBL16627424

CC(=O)c1cccnc1Nc1ccc([N+](=O)[O-])cc1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.53
RAB9A P51151 5/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
HPGD P15428 1/20 0.53
MAPT P10636 7/20 0.52
NPC1 O15118 4/20 0.52
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
KCNH2 Q12809 1/20 0.52
MAPK1 P28482 1/20 0.47
HTT P42858 3/20 0.47
LMNA P02545 3/20 0.46
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2D6 P10635 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
TAS1R3 Q7RTX0 1/20 0.44

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
SCHEMBL16638722 0.83 ALDH1A1 (0.46) ALDH1A1RAB9ASMN1; SMN2HPGDMAPT
SCHEMBL16627432 0.81 RAB9A (0.57) ALDH1A1RAB9ASMN1; SMN2MAPTNPC1
SCHEMBL16627422 0.81 ALDH1A1 (0.58) ALDH1A1RAB9ASMN1; SMN2HPGDMAPT
SCHEMBL16627417 0.81 MAPT (0.44) ALDH1A1RAB9ASMN1; SMN2HPGDMAPT
SCHEMBL16627414 0.80 RAB9A (0.79) ALDH1A1RAB9ASMN1; SMN2HPGDMAPT
SCHEMBL16627418 0.80 RAB9A (0.57) ALDH1A1RAB9ASMN1; SMN2HPGDMAPT
SCHEMBL16627421 0.80 MEN1 (0.44) ALDH1A1RAB9ASMN1; SMN2HPGDMAPT
SCHEMBL16627416 0.78 ALDH1A1 (0.55) ALDH1A1RAB9ASMN1; SMN2HPGDMAPT
SCHEMBL13748719 0.78 SMN1; SMN2 (0.53) ALDH1A1RAB9ASMN1; SMN2HPGDMAPT
SCHEMBL4032494 0.75 MEN1 (0.73) ALDH1A1RAB9ASMN1; SMN2MAPTNPC1

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 ALDH1A1 1497/4885RAB9A 1415/4885SMN1; SMN2 4456/4885

“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.