SCHEMBL16627384

SCHEMBL16627384

COc1ccc(Nc2ncccc2/C=C/C(C)=O)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.60
NPC1 O15118 7/20 0.60
ALDH1A1 P00352 3/20 0.60
HTT P42858 3/20 0.60
NPSR1 Q6W5P4 2/20 0.60
MEN1 O00255 6/20 0.57
KMT2A Q03164 6/20 0.57
MAPT P10636 6/20 0.57
GAA P10253 2/20 0.57
MAPK1 P28482 2/20 0.54
SMN1; SMN2 Q16637 3/20 0.49
TUBB4A P04350 1/20 0.47
TUBB P07437 1/20 0.47
TUBA3C P0DPH7 1/20 0.47
TUBA1B P68363 1/20 0.47
TUBA4A P68366 1/20 0.47
TUBB4B P68371 1/20 0.47
TUBB3 Q13509 1/20 0.47
TUBB2A Q13885 1/20 0.47
TUBB8 Q3ZCM7 1/20 0.47

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
SCHEMBL16616864 0.88 ALDH1A1 (0.57) RAB9ANPC1ALDH1A1HTTNPSR1
SCHEMBL16616863 0.88 ALDH1A1 (0.57) RAB9ANPC1ALDH1A1HTTNPSR1
SCHEMBL16627389 0.87 MEN1 (0.62) RAB9ANPC1ALDH1A1HTTNPSR1
SCHEMBL16627388 0.86 MAPT (0.45) RAB9ANPC1ALDH1A1HTTNPSR1
SCHEMBL16627385 0.85 DHODH (0.56) RAB9ANPC1ALDH1A1HTTNPSR1
SCHEMBL16627386 0.85 RAB9A (0.56) RAB9ANPC1ALDH1A1HTTNPSR1
SCHEMBL16616665 0.84 MAPT (0.54) RAB9ANPC1ALDH1A1HTTNPSR1
SCHEMBL16616667 0.84 MAPT (0.54) RAB9ANPC1ALDH1A1HTTNPSR1
SCHEMBL16616527 0.84 ALDH1A1 (0.53) RAB9ANPC1ALDH1A1HTTNPSR1
SCHEMBL16616659 0.84 MEN1 (0.65) RAB9ANPC1ALDH1A1HTTNPSR1

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 1415/4885NPC1 1383/4885ALDH1A1 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.