SCHEMBL16616625

SCHEMBL16616625

COc1ccc(C=CC(=O)c2cccnc2Nc2ccc(F)cc2)cc1OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.56
MAPT P10636 2/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
ABCG2 Q9UNQ0 10/20 0.55
ABCB1 P08183 6/20 0.55
ACHE P22303 1/20 0.54
MAOB P27338 1/20 0.54
KDM4E B2RXH2 3/20 0.53
LMNA P02545 2/20 0.53
HTT P42858 2/20 0.53
PAX8 Q06710 1/20 0.53
DHODH Q02127 1/20 0.52
ALDH1A1 P00352 2/20 0.52
HPGD P15428 2/20 0.52
GAA P10253 1/20 0.52
CYP1A1 P04798 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51

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
SCHEMBL16616624 1.00 SMN1; SMN2 (0.56) SMN1; SMN2MAPTMEN1KMT2AABCG2
SCHEMBL16616537 0.92 TUBB1 (0.62) SMN1; SMN2MAPTMEN1KMT2AABCG2
SCHEMBL16616540 0.92 TUBB1 (0.62) SMN1; SMN2MAPTMEN1KMT2AABCG2
SCHEMBL16616974 0.92 ABCG2 (0.58) SMN1; SMN2MAPTMEN1KMT2AABCG2
SCHEMBL16616976 0.92 ABCG2 (0.58) SMN1; SMN2MAPTMEN1KMT2AABCG2
SCHEMBL16616526 0.91 DHODH (0.49) SMN1; SMN2MAPTMEN1KMT2AABCG2
SCHEMBL16616528 0.91 DHODH (0.49) SMN1; SMN2MAPTMEN1KMT2AABCG2
SCHEMBL16616499 0.91 ALDH1A1 (0.58) MAPTMEN1KMT2AABCG2ABCB1
SCHEMBL16616187 0.91 ABCG2 (0.57) SMN1; SMN2MAPTMEN1KMT2AABCG2
SCHEMBL16616189 0.91 ABCG2 (0.57) SMN1; SMN2MAPTMEN1KMT2AABCG2

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 SMN1; SMN2 4456/4885MAPT 2681/4885MEN1 2511/4885

“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.