SCHEMBL16616670

SCHEMBL16616670

COc1cc(/C=C/C(=O)c2cccnc2Nc2ccc(F)cc2)cc(OC)c1OC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.57
KRAS P01116 4/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
ATM Q13315 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
LMNA P02545 2/20 0.54
MAPT P10636 1/20 0.54
DHODH Q02127 1/20 0.52
CYP1A1 P04798 3/20 0.51
CYP1A2 P05177 3/20 0.51
CYP1B1 Q16678 3/20 0.51
CYP2D6 P10635 2/20 0.49
CYP2C8 P10632 1/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
ABCB1 P08183 1/20 0.48
RELA Q04206 1/20 0.48
KDM4E B2RXH2 2/20 0.47
HPGD P15428 2/20 0.47
HTT P42858 2/20 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
SCHEMBL16616674 1.00 ALDH1A1 (0.57) ALDH1A1KRASSMN1; SMN2ATML3MBTL1
SCHEMBL16616410 0.91 ALDH1A1 (0.58) ALDH1A1KRASSMN1; SMN2LMNAMAPT
SCHEMBL16616404 0.91 ALDH1A1 (0.58) ALDH1A1KRASSMN1; SMN2LMNAMAPT
SCHEMBL16616365 0.91 ALDH1A1 (0.57) ALDH1A1KRASSMN1; SMN2LMNAMAPT
SCHEMBL16616359 0.91 ALDH1A1 (0.57) ALDH1A1KRASSMN1; SMN2LMNAMAPT
SCHEMBL16616698 0.91 KRAS (0.60) ALDH1A1KRASSMN1; SMN2LMNAMAPT
SCHEMBL16616697 0.91 KRAS (0.60) ALDH1A1KRASSMN1; SMN2LMNAMAPT
SCHEMBL16616380 0.91 KRAS (0.60) ALDH1A1KRASSMN1; SMN2LMNAMAPT
SCHEMBL16616382 0.91 KRAS (0.60) ALDH1A1KRASSMN1; SMN2LMNAMAPT
SCHEMBL16616185 0.90 KRAS (0.54) ALDH1A1KRASSMN1; SMN2LMNAMAPT

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 6 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-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-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
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
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 1497/4885KRAS 1079/4885SMN1; 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.