SCHEMBL7595162

SCHEMBL7595162

CCc1c(C(=O)O)ccc([N+](=O)[O-])c1NC(=O)CCc1ccccc1CS(=O)(=O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.43
THRB P10828 1/20 0.40
POLB P06746 3/20 0.39
KMT2A Q03164 7/20 0.39
ALDH1A1 P00352 5/20 0.39
MEN1 O00255 3/20 0.39
RAB9A P51151 1/20 0.38
HTT P42858 1/20 0.38
GRK2 P25098 2/20 0.37
MAPT P10636 1/20 0.37
ATM Q13315 1/20 0.37
PPARG P37231 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
NR2E3 Q9Y5X4 1/20 0.36
NCOR2 Q9Y618 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL7593040 0.85 MAPT (0.45) GAAPOLBKMT2AALDH1A1MEN1
SCHEMBL7593528 0.84 RAB9A (0.42) GAAKMT2AALDH1A1MEN1RAB9A
SCHEMBL7594769 0.83 RAB9A (0.40) GAAKMT2AALDH1A1MEN1RAB9A
SCHEMBL7598810 0.83 RAB9A (0.56) GAAKMT2AALDH1A1MEN1RAB9A
SCHEMBL7596130 0.83 KMT2A (0.43) GAAKMT2AALDH1A1MEN1RAB9A
SCHEMBL7594895 0.79 RAB9A (0.49) GAAKMT2AALDH1A1MEN1RAB9A
SCHEMBL7596218 0.79 LMNA (0.43) GAAKMT2AMEN1RAB9AHTT
SCHEMBL7594876 0.78 ALDH1A1 (0.41) GAAKMT2AALDH1A1MEN1RAB9A
SCHEMBL7593569 0.78 RAB9A (0.54) GAAKMT2AALDH1A1MEN1RAB9A
SCHEMBL7595232 0.78 RAB9A (0.40) GAATHRBKMT2AALDH1A1MEN1

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-20020082280-A1 Method of inhibiting neoplastic cells with benzimidazole derivatives OSI PHARMACEUTICALS, INC. 2002-06-27 US disclosed
US-6348032-B1 POTENT COMPOUNDS THAT INDUCE APOPTOSIS IN NEOPLASTIC CELLS (BUT NOT SUBSTANTIALLY IN NORMAL CELLS), WITHOUT SUBSTANTIALLY INHIBITING PGE-2. CELL PATHWAYS, INC. 2002-02-19 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-20020082280-A1 Method of inhibiting neoplastic cells with benzimidazole derivatives MKI67, CCNI, TMBIM6 GAA 708/4885THRB 2992/4885POLB 192/4885

“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.