SCHEMBL16627412

SCHEMBL16627412

COc1ccc(Nc2ncccc2/C=C/C(C)=O)c(C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.44
ADRA2C P18825 1/20 0.44
ADRA1D P25100 1/20 0.44
ADRA1A P35348 1/20 0.44
ADRA1B P35368 1/20 0.44
RAB9A P51151 7/20 0.43
NPC1 O15118 5/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
ALDH1A1 P00352 4/20 0.43
MAPT P10636 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
ALOX12 P18054 1/20 0.43
CYP2C19 P33261 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
GAA P10253 2/20 0.43
HPGD P15428 1/20 0.42
DHODH Q02127 2/20 0.41
KDM4E B2RXH2 2/20 0.41

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
SCHEMBL16638721 0.88 ALDH1A1 (0.47) ADRA2AADRA2CADRA1DADRA1AADRA1B
SCHEMBL16627411 0.85 ALDH1A1 (0.47) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL16627410 0.84 ALDH1A1 (0.44) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL16627419 0.84 RAB9A (0.61) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL16627423 0.83 ADRA2A (0.50) ADRA2AADRA2CADRA1DADRA1AADRA1B
SCHEMBL16627384 0.82 RAB9A (0.60) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL16627389 0.82 MEN1 (0.62) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL16627417 0.81 MAPT (0.44) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL16627416 0.80 ALDH1A1 (0.55) ADRA2AADRA2CADRA1DADRA1AADRA1B
SCHEMBL3719964 0.73 MAPT (0.55) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT

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 ADRA2A 4691/4885ADRA2C 4619/4885ADRA1D 4763/4885

“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.