SCHEMBL16625557

SCHEMBL16625557

COc1cc(Nc2ncccc2C(=O)/C=C/c2ccc(OC)c([N+](=O)[O-])c2)ccc1CO

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.46
NTSR1 P30989 1/20 0.46
MAPT P10636 7/20 0.45
ALDH1A1 P00352 7/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
NPC1 O15118 2/20 0.45
LMNA P02545 4/20 0.44
MAPK1 P28482 4/20 0.44
NPSR1 Q6W5P4 3/20 0.44
HTT P42858 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
TP53 P04637 1/20 0.44
ABCB1 P08183 4/20 0.42
ABCG2 Q9UNQ0 4/20 0.42
PAX8 Q06710 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TUBB4A P04350 1/20 0.40
TUBB P07437 1/20 0.40
TUBA3C P0DPH7 1/20 0.40

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
SCHEMBL16616445 0.91 RAB9A (0.52) RAB9ANTSR1MAPTALDH1A1SMN1; SMN2
SCHEMBL16616442 0.91 RAB9A (0.52) RAB9ANTSR1MAPTALDH1A1SMN1; SMN2
SCHEMBL16625586 0.90 RAB9A (0.45) RAB9ANTSR1MAPTALDH1A1SMN1; SMN2
SCHEMBL16625556 0.90 RAB9A (0.47) RAB9ANTSR1MAPTALDH1A1SMN1; SMN2
SCHEMBL16625561 0.88 CYP1A1 (0.49) MAPTLMNAABCB1ABCG2MEN1
SCHEMBL16625596 0.87 TUBB1 (0.45) RAB9AMAPTALDH1A1SMN1; SMN2NPC1
SCHEMBL16616443 0.87 MAPT (0.52) RAB9ANTSR1MAPTALDH1A1SMN1; SMN2
SCHEMBL16616367 0.87 TUBB4A (0.53) RAB9ANTSR1MAPTALDH1A1SMN1; SMN2
SCHEMBL16616666 0.87 MAPT (0.54) RAB9ANTSR1MAPTALDH1A1SMN1; SMN2
SCHEMBL16616366 0.87 TUBB4A (0.53) RAB9ANTSR1MAPTALDH1A1SMN1; SMN2

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 3967/4885MAPT 2681/4885

“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.