SCHEMBL16627416

SCHEMBL16627416

COc1ccc(Nc2ncccc2C(C)=O)c(C)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.55
RAB9A P51151 5/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
HPGD P15428 1/20 0.55
MEN1 O00255 5/20 0.54
KMT2A Q03164 5/20 0.54
MAPT P10636 5/20 0.54
GAA P10253 2/20 0.54
NPSR1 Q6W5P4 3/20 0.53
NPC1 O15118 3/20 0.53
HTT P42858 2/20 0.53
MAPK1 P28482 2/20 0.53
PKM P14618 1/20 0.53
DHODH Q02127 4/20 0.53
TOP1 P11387 1/20 0.52
ADRA2A P08913 1/20 0.49
ADRA2C P18825 1/20 0.49
ADRA1D P25100 1/20 0.49
ADRA1A P35348 1/20 0.49
ADRA1B P35368 1/20 0.49

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
SCHEMBL18797287 0.86 MEN1 (0.53) ALDH1A1RAB9ASMN1; SMN2HPGDMEN1
SCHEMBL16627422 0.83 ALDH1A1 (0.58) ALDH1A1RAB9ASMN1; SMN2HPGDMEN1
SCHEMBL16638721 0.82 ALDH1A1 (0.47) ALDH1A1RAB9ASMN1; SMN2HPGDMEN1
SCHEMBL16627414 0.82 RAB9A (0.79) ALDH1A1RAB9ASMN1; SMN2HPGDMEN1
SCHEMBL16627418 0.82 RAB9A (0.57) ALDH1A1RAB9ASMN1; SMN2HPGDMEN1
SCHEMBL10937347 0.80 GAA (0.57) ALDH1A1RAB9AHPGDMEN1KMT2A
SCHEMBL16616459 0.80 MEN1 (0.80) ALDH1A1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL16627412 0.80 ADRA2A (0.44) ALDH1A1RAB9ASMN1; SMN2HPGDMEN1
SCHEMBL13748719 0.80 SMN1; SMN2 (0.53) ALDH1A1RAB9ASMN1; SMN2HPGDMEN1
SCHEMBL16627430 0.80 MEN1 (0.81) ALDH1A1RAB9ASMN1; SMN2MEN1KMT2A

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.