SCHEMBL16616909

SCHEMBL16616909

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

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KRAS P01116 2/20 0.52
ALDH1A1 P00352 1/20 0.52
ATM Q13315 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
ABCB1 P08183 3/20 0.51
TNFRSF1A P19438 4/20 0.48
ABCG2 Q9UNQ0 1/20 0.48
RELA Q04206 3/20 0.48
TUBB1 Q9H4B7 2/20 0.47
CYP1A1 P04798 3/20 0.46
CYP1A2 P05177 3/20 0.46
CYP1B1 Q16678 3/20 0.46
CYP2D6 P10635 2/20 0.45
POLB P06746 1/20 0.45
GAA P10253 1/20 0.45
CYP3A4 P08684 1/20 0.45
CTSL P07711 1/20 0.45
CTSB P07858 1/20 0.45

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
SCHEMBL16616913 1.00 KRAS (0.52) KRASALDH1A1ATMSMN1; SMN2L3MBTL1
SCHEMBL16616423 0.91 POLB (0.56) KRASALDH1A1ABCB1TNFRSF1AABCG2
SCHEMBL16616875 0.91 ABCB1 (0.52) KRASABCB1TNFRSF1AABCG2TUBB1
SCHEMBL16616421 0.91 POLB (0.56) KRASALDH1A1ABCB1TNFRSF1AABCG2
SCHEMBL16616870 0.91 ABCB1 (0.52) KRASABCB1TNFRSF1AABCG2TUBB1
SCHEMBL16616217 0.91 TNFRSF1A (0.57) KRASABCB1TNFRSF1AABCG2CYP1A1
SCHEMBL16616215 0.91 TNFRSF1A (0.57) KRASABCB1TNFRSF1AABCG2CYP1A1
SCHEMBL16616603 0.91 ABCB1 (0.56) KRASABCB1TNFRSF1AABCG2TUBB1
SCHEMBL16616602 0.91 ABCB1 (0.56) KRASABCB1TNFRSF1AABCG2TUBB1
SCHEMBL16616567 0.90 ABCG2 (0.53) ALDH1A1ATMABCB1TNFRSF1AABCG2

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 KRAS 1079/4885ALDH1A1 1497/4885ATM 3879/4885

“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.