SCHEMBL25492000

SCHEMBL25492000

CC(C)c1ccc(C#N)cc1[N+](=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 4/20 0.58
PDK1 Q15118 1/20 0.50
KAT2B Q92831 1/20 0.45
MAPT P10636 6/20 0.43
KMT2A Q03164 2/20 0.43
MAPK1 P28482 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2A Q12879 1/20 0.41
GRIN2B Q13224 1/20 0.41
GRIN2C Q14957 1/20 0.41
GRIN3A Q8TCU5 1/20 0.41
RAB9A P51151 1/20 0.41
MERTK Q12866 2/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
PKM P14618 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
SCHEMBL28949567 0.87 VCAM1 (0.55) VCAM1PDK1KAT2BMAPTKMT2A
SCHEMBL22898036 0.87 VCAM1 (0.55) VCAM1PDK1KAT2BMAPTKMT2A
SCHEMBL22897766 0.84 VCAM1 (0.53) VCAM1PDK1KAT2BMAPTKMT2A
SCHEMBL16957674 0.83 PDK1 (0.50) VCAM1PDK1MAPTMAPK1TDP1
SCHEMBL11229564 0.83 PDK1 (0.50) VCAM1PDK1MAPTMAPK1TDP1
SCHEMBL1795604 0.83 VCAM1 (0.51) VCAM1PDK1KAT2BMAPTKMT2A
SCHEMBL1795608 0.83 VCAM1 (0.51) VCAM1PDK1KAT2BMAPTKMT2A
SCHEMBL2793482 0.80 VCAM1 (0.54) VCAM1PDK1KAT2BMAPTKMT2A
SCHEMBL2793480 0.80 VCAM1 (0.54) VCAM1PDK1KAT2BMAPTKMT2A
SCHEMBL1795775 0.79 ALDH1A1 (0.61) VCAM1PDK1KAT2BMAPTKMT2A

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-11655244-B2 Carbazole compounds and methods of use thereof GSNO THERAPEUTICS, INC. (US) 2023-05-23 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-11655244-B2 Carbazole compounds and methods of use thereof GSR, CBR3, CBR1 VCAM1 3419/4885PDK1 1664/4885KAT2B 2028/4885

“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.