SCHEMBL16616834

SCHEMBL16616834

Nc1ccc(C(=O)C=Cc2cccnc2Nc2ccc(F)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.50
CYP3A4 P08684 2/20 0.49
BCHE P06276 1/20 0.48
MAPT P10636 4/20 0.45
RAB9A P51151 3/20 0.45
LMNA P02545 1/20 0.44
ABCG2 Q9UNQ0 1/20 0.43
CYP1B1 Q16678 1/20 0.43
TNFRSF1A P19438 1/20 0.43
ALOX5 P09917 1/20 0.41
TUBB4A P04350 1/20 0.41
TUBB P07437 1/20 0.41
TUBA3C P0DPH7 1/20 0.41
TUBA1B P68363 1/20 0.41
TUBA4A P68366 1/20 0.41
TUBB4B P68371 1/20 0.41
TUBB3 Q13509 1/20 0.41
TUBB2A Q13885 1/20 0.41
TUBB8 Q3ZCM7 1/20 0.41
TUBA3E Q6PEY2 1/20 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
SCHEMBL16616832 1.00 DHODH (0.50) DHODHCYP3A4BCHEMAPTRAB9A
SCHEMBL16616409 0.90 SMN1; SMN2 (0.49) DHODHCYP3A4MAPTRAB9ALMNA
SCHEMBL16616408 0.90 SMN1; SMN2 (0.49) DHODHCYP3A4MAPTRAB9ALMNA
SCHEMBL16616511 0.89 CYP3A4 (0.50) DHODHCYP3A4BCHEMAPTRAB9A
SCHEMBL16616508 0.89 CYP3A4 (0.50) DHODHCYP3A4BCHEMAPTRAB9A
SCHEMBL16616861 0.89 BCHE (0.54) DHODHCYP3A4BCHEMAPTRAB9A
SCHEMBL16616859 0.89 BCHE (0.54) DHODHCYP3A4BCHEMAPTRAB9A
SCHEMBL16616766 0.88 SMN1; SMN2 (0.50) DHODHCYP3A4BCHEMAPTRAB9A
SCHEMBL16616767 0.88 SMN1; SMN2 (0.50) DHODHCYP3A4BCHEMAPTRAB9A
SCHEMBL16616546 0.87 MAOB (0.56) CYP3A4MAPTRAB9ALMNAABCG2

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 DHODH 637/4885CYP3A4 930/4885BCHE 4089/4885

“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.