SCHEMBL16627414

SCHEMBL16627414

CC(=O)c1cccnc1Nc1ccc(Cl)cc1C

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.79
SMN1; SMN2 Q16637 4/20 0.79
ALDH1A1 P00352 1/20 0.79
HPGD P15428 1/20 0.79
DHODH Q02127 4/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
MAPT P10636 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
NPC1 O15118 3/20 0.47
LMNA P02545 2/20 0.47
GAA P10253 1/20 0.47
CLCN2 P51788 1/20 0.46
CYP11B2 P19099 1/20 0.44
THRB P10828 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
SCHEMBL16627422 0.85 ALDH1A1 (0.58) RAB9ASMN1; SMN2ALDH1A1HPGDDHODH
SCHEMBL16627418 0.84 RAB9A (0.57) RAB9ASMN1; SMN2ALDH1A1HPGDDHODH
SCHEMBL16627416 0.82 ALDH1A1 (0.55) RAB9ASMN1; SMN2ALDH1A1HPGDDHODH
SCHEMBL13748719 0.82 SMN1; SMN2 (0.53) RAB9ASMN1; SMN2ALDH1A1HPGDDHODH
SCHEMBL16638723 0.81 RAB9A (0.67) RAB9ASMN1; SMN2ALDH1A1HPGDDHODH
SCHEMBL16627424 0.80 ALDH1A1 (0.53) RAB9ASMN1; SMN2ALDH1A1HPGDMEN1
SCHEMBL16627419 0.79 RAB9A (0.61) RAB9ASMN1; SMN2ALDH1A1HPGDDHODH
SCHEMBL16616388 0.79 RAB9A (0.76) RAB9ASMN1; SMN2ALDH1A1HPGDDHODH
SCHEMBL11829647 0.79 RAB9A (0.64) RAB9ASMN1; SMN2ALDH1A1HPGDDHODH
SCHEMBL16627413 0.77 RAB9A (0.62) RAB9ASMN1; SMN2ALDH1A1HPGDDHODH

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

“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.