SCHEMBL6071705

SCHEMBL6071705

CCC(Nc1ccc([N+](=O)[O-])c(C)c1)=C(C#N)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.49
KMT2A Q03164 7/20 0.49
RAB9A P51151 6/20 0.49
MAPT P10636 5/20 0.49
ALDH1A1 P00352 4/20 0.49
NPC1 O15118 4/20 0.45
GAA P10253 1/20 0.44
TSHR P16473 1/20 0.43
LMNA P02545 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
MAPK1 P28482 1/20 0.43
POLB P06746 3/20 0.40
KDM4E B2RXH2 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
CASP3 P42574 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
TDP1 Q9NUW8 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
SCHEMBL4960854 0.84 AR (0.56) ALDH1A1TSHRLMNASMN1; SMN2MAPK1
SCHEMBL4960442 0.82 MAPT (0.55) MEN1KMT2ARAB9AMAPTALDH1A1
SCHEMBL8714995 0.80 DHODH (0.54) MEN1KMT2ARAB9AMAPTALDH1A1
SCHEMBL8714989 0.80 DHODH (0.54) MEN1KMT2ARAB9AMAPTALDH1A1
SCHEMBL2929137 0.77 ALDH1A1 (0.61) MEN1KMT2ARAB9AMAPTALDH1A1
SCHEMBL8718043 0.75 ALDH1A1 (0.56) MEN1KMT2ARAB9AMAPTALDH1A1
SCHEMBL21555938 0.74 ALDH1A1 (0.52) MEN1KMT2ARAB9AMAPTALDH1A1
SCHEMBL17100999 0.74 ALDH1A1 (0.52) MEN1KMT2ARAB9AMAPTALDH1A1
SCHEMBL17100996 0.74 ALDH1A1 (0.52) MEN1KMT2ARAB9AMAPTALDH1A1
SCHEMBL7125256 0.74 DHODH (0.47) MEN1KMT2ARAB9AMAPTALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060264460-A1 3-Cyanoquinoline inhibitors of Tpl2 kinase and methods of making and using the same WYETH (US) 2006-11-23 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-20060264460-A1 3-Cyanoquinoline inhibitors of Tpl2 kinase and methods of making and using the same TNNI3K, CSNK1A1L, CDKL1 MEN1 3896/4885KMT2A 1686/4885RAB9A 3765/4885

“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.