SCHEMBL5693295

SCHEMBL5693295

CC(C)(CNc1ccccc1[N+](=O)[O-])CC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
ALDH1A1 P00352 2/20 0.48
PDK1 Q15118 1/20 0.48
PDK2 Q15119 1/20 0.48
PDK3 Q15120 1/20 0.48
PDK4 Q16654 1/20 0.48
RAB9A P51151 4/20 0.47
MAPT P10636 4/20 0.47
NPC1 O15118 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
KAT2B Q92831 2/20 0.47
GAA P10253 2/20 0.46
L3MBTL1 Q9Y468 3/20 0.45
MAPK1 P28482 2/20 0.45
CASP7 P55210 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL22725447 0.85 PDK1 (0.52) KMT2AMEN1ALDH1A1PDK1PDK2
SCHEMBL3998130 0.85 ALDH1A1 (0.50) KMT2AMEN1ALDH1A1PDK1PDK2
SCHEMBL3998124 0.85 ALDH1A1 (0.50) KMT2AMEN1ALDH1A1PDK1PDK2
SCHEMBL27585626 0.82 ALDH1A1 (0.48) KMT2AMEN1ALDH1A1RAB9AMAPT
SCHEMBL6278066 0.81 MAPT (0.54) KMT2AMEN1ALDH1A1PDK1PDK2
SCHEMBL4939990 0.81 KMT2A (0.45) KMT2AMEN1ALDH1A1PDK1PDK2
SCHEMBL5692712 0.81 ALDH1A1 (0.47) KMT2AMEN1ALDH1A1RAB9AMAPT
SCHEMBL4939981 0.81 KMT2A (0.45) KMT2AMEN1ALDH1A1PDK1PDK2
SCHEMBL13729342 0.80 KMT2A (0.53) KMT2AMEN1ALDH1A1PDK1PDK2
SCHEMBL1979867 0.79 KAT2B (0.48) KMT2AMEN1ALDH1A1PDK1PDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1337550-B1 HEPATITIS C TRIPEPTIDE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2006-05-24 EP disclosed
US-6872805-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2005-03-29 US disclosed
US-20020111313-A1 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY 2002-08-15 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-20020111313-A1 Hepatitis C virus inhibitors HAVCR2, ZC3HAV1, VIP KMT2A 4483/4885MEN1 4575/4885ALDH1A1 3255/4885

“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.