SCHEMBL16616413

SCHEMBL16616413

COc1cc(Nc2ncccc2C(=O)/C=C/c2cccnc2Nc2ccc([N+](=O)[O-])cc2)cc(OC)c1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KRAS P01116 2/20 0.48
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
ALDH1A1 P00352 7/20 0.45
LMNA P02545 2/20 0.45
NTSR1 P30989 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
AR P10275 1/20 0.44
MAPT P10636 5/20 0.43
HTT P42858 2/20 0.43
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
KCNH2 Q12809 1/20 0.43
ABCG2 Q9UNQ0 1/20 0.42
PTK2 Q05397 2/20 0.42
CDC7 O00311 1/20 0.42
PLK4 O00444 1/20 0.42
CHEK1 O14757 1/20 0.42
DCLK1 O15075 1/20 0.42
CHUK O15111 1/20 0.42

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
SCHEMBL16616414 1.00 KRAS (0.48) KRASMEN1KMT2AALDH1A1LMNA
SCHEMBL16616304 0.92 MAPT (0.48) MEN1KMT2AALDH1A1LMNANTSR1
SCHEMBL16616303 0.92 MAPT (0.48) MEN1KMT2AALDH1A1LMNANTSR1
SCHEMBL16616897 0.90 KRAS (0.60) KRASMEN1KMT2AALDH1A1LMNA
SCHEMBL16616893 0.90 KRAS (0.60) KRASMEN1KMT2AALDH1A1LMNA
SCHEMBL16616613 0.90 KRAS (0.60) KRASALDH1A1LMNANTSR1TDP1
SCHEMBL16616615 0.90 KRAS (0.60) KRASALDH1A1LMNANTSR1TDP1
SCHEMBL16616590 0.88 ALDH1A1 (0.55) KRASMEN1KMT2AALDH1A1LMNA
SCHEMBL16616560 0.88 BRAF (0.47) KRASMEN1KMT2AALDH1A1LMNA
SCHEMBL16616589 0.88 ALDH1A1 (0.55) KRASMEN1KMT2AALDH1A1LMNA

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 4 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-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 1079/4885MEN1 2511/4885KMT2A 2973/4885

“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.