SCHEMBL16625586

SCHEMBL16625586

COc1ccc(/C=C/C(=O)c2cccnc2Nc2cc(CO)c(CO)c(OC)c2)cc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.45
NTSR1 P30989 1/20 0.45
ALDH1A1 P00352 9/20 0.43
MAPT P10636 8/20 0.43
LMNA P02545 5/20 0.43
SMN1; SMN2 Q16637 5/20 0.43
MAPK1 P28482 5/20 0.43
NPSR1 Q6W5P4 3/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
HTT P42858 3/20 0.43
NPC1 O15118 2/20 0.43
TP53 P04637 1/20 0.43
PAX8 Q06710 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
ABCB1 P08183 2/20 0.40
ABCG2 Q9UNQ0 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 1/20 0.40
APOBEC3A P31941 1/20 0.39

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
SCHEMBL16625557 0.90 RAB9A (0.46) RAB9ANTSR1ALDH1A1MAPTLMNA
SCHEMBL16625581 0.88 TUBB1 (0.43) RAB9AALDH1A1ABCB1ABCG2MEN1
SCHEMBL16616367 0.87 TUBB4A (0.53) RAB9ANTSR1ALDH1A1MAPTLMNA
SCHEMBL16616366 0.87 TUBB4A (0.53) RAB9ANTSR1ALDH1A1MAPTLMNA
SCHEMBL16625556 0.87 RAB9A (0.47) RAB9ANTSR1ALDH1A1MAPTLMNA
SCHEMBL16616442 0.86 RAB9A (0.52) RAB9ANTSR1ALDH1A1MAPTLMNA
SCHEMBL16616445 0.86 RAB9A (0.52) RAB9ANTSR1ALDH1A1MAPTLMNA
SCHEMBL16616234 0.85 MAPT (0.51) RAB9ANTSR1ALDH1A1MAPTLMNA
SCHEMBL16616236 0.85 MAPT (0.51) RAB9ANTSR1ALDH1A1MAPTLMNA
SCHEMBL16625544 0.85 ALDH1A1 (0.44) RAB9ANTSR1ALDH1A1MAPTLMNA

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 RAB9A 1415/4885NTSR1 3967/4885ALDH1A1 1497/4885

“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.