SCHEMBL16627422

SCHEMBL16627422

CC(=O)c1cccnc1Nc1ccc(O)cc1C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.58
RAB9A P51151 3/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
HPGD P15428 1/20 0.58
MAPT P10636 6/20 0.52
GAA P10253 4/20 0.52
LMNA P02545 3/20 0.52
KDM4E B2RXH2 1/20 0.52
ALOX15 P16050 1/20 0.52
CASP1 P29466 1/20 0.52
CASP7 P55210 1/20 0.52
RUNX1 Q01196 1/20 0.52
CBFB Q13951 1/20 0.52
HSD17B10 Q99714 1/20 0.52
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48

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
SCHEMBL16627418 0.85 RAB9A (0.57) ALDH1A1RAB9ASMN1; SMN2HPGDMAPT
SCHEMBL16627414 0.85 RAB9A (0.79) ALDH1A1RAB9ASMN1; SMN2HPGDMAPT
SCHEMBL16627416 0.83 ALDH1A1 (0.55) ALDH1A1RAB9ASMN1; SMN2HPGDMAPT
SCHEMBL13748719 0.83 SMN1; SMN2 (0.53) ALDH1A1RAB9ASMN1; SMN2HPGDMAPT
SCHEMBL16627424 0.81 ALDH1A1 (0.53) ALDH1A1RAB9ASMN1; SMN2HPGDMAPT
SCHEMBL16638724 0.81 ALDH1A1 (0.50) ALDH1A1RAB9ASMN1; SMN2HPGDMAPT
SCHEMBL16627411 0.79 ALDH1A1 (0.47) ALDH1A1RAB9ASMN1; SMN2HPGDMAPT
SCHEMBL10938235 0.79 AKR1C3 (0.56) ALDH1A1MAPTGAALMNAKDM4E
SCHEMBL16627429 0.79 MAPT (0.58) ALDH1A1RAB9ASMN1; SMN2MAPTGAA
SCHEMBL16627415 0.78 GAA (0.56) ALDH1A1RAB9ASMN1; SMN2HPGDMAPT

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.