SCHEMBL16625545

SCHEMBL16625545

COc1ccc(C(=O)/C=C/c2cccnc2Nc2cc(CO)c(CO)c(OC)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.48
CYP3A4 P08684 2/20 0.46
TNFRSF1A P19438 1/20 0.46
PTPN1 P18031 2/20 0.45
ABCG2 Q9UNQ0 4/20 0.44
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
DPP4 P27487 2/20 0.42
CYP1A1 P04798 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP1B1 Q16678 1/20 0.41
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41
GABRA3 P34903 1/20 0.41
GABRA2 P47869 1/20 0.41
GABRB2 P47870 1/20 0.41
ABCB1 P08183 2/20 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
SCHEMBL16625577 0.93 CTSL (0.45) MAOBCYP3A4PTPN1ABCG2NPC1
SCHEMBL16625568 0.92 MAPT (0.49) MAOBCYP3A4ABCG2NPC1MAPT
SCHEMBL16625543 0.91 ABCG2 (0.48) TNFRSF1AABCG2MAPTCYP1A1CYP1A2
SCHEMBL16625565 0.89 ABCB1 (0.46) TNFRSF1AABCG2ALDH1A1CYP1A1CYP1A2
SCHEMBL16625607 0.89 MAOB (0.50) MAOBCYP3A4TNFRSF1APTPN1ABCG2
SCHEMBL16625582 0.89 ABCG2 (0.39) CYP3A4TNFRSF1APTPN1ABCG2ALDH1A1
SCHEMBL16616379 0.86 KRAS (0.57) MAOBCYP3A4TNFRSF1APTPN1ABCG2
SCHEMBL16616372 0.86 KRAS (0.57) MAOBCYP3A4TNFRSF1APTPN1ABCG2
SCHEMBL16625544 0.86 ALDH1A1 (0.44) CYP3A4ABCG2NPC1ALDH1A1MAPT
SCHEMBL16625588 0.84 ABCG2 (0.40) ABCG2NPC1ALDH1A1MAPTRAB9A

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 MAOB 2125/4885CYP3A4 930/4885TNFRSF1A 1747/4885

“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.