SCHEMBL7597829

SCHEMBL7597829

CCc1c(C(=O)O)ccc([N+](=O)[O-])c1NC(=O)CCCc1ccc(-c2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.51
NPC1 O15118 3/20 0.51
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HDAC2 Q92769 2/20 0.43
HDAC1 Q13547 2/20 0.43
GAA P10253 1/20 0.42
HCAR2 Q8TDS4 6/20 0.42
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
KDM6B O15054 1/20 0.40
KDM4D Q6B0I6 1/20 0.40
KDM4C Q9H3R0 1/20 0.40
EIF4A1 P60842 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL7594895 0.94 RAB9A (0.49) RAB9ANPC1MEN1KMT2AGAA
SCHEMBL7593569 0.91 RAB9A (0.54) RAB9ANPC1MEN1KMT2AHDAC2
SCHEMBL7598810 0.87 RAB9A (0.56) RAB9ANPC1MEN1KMT2AGAA
SCHEMBL7590650 0.86 HDAC3 (0.44) RAB9ANPC1MEN1KMT2AHDAC2
SCHEMBL7592927 0.86 RAB9A (0.43) RAB9ANPC1MEN1KMT2AGAA
SCHEMBL7596958 0.84 KDM4E (0.46) RAB9ANPC1MEN1KMT2AGAA
SCHEMBL7591470 0.84 HCAR2 (0.50) RAB9ANPC1MEN1KMT2AGAA
SCHEMBL7596188 0.84 ALDH1A1 (0.42) RAB9ANPC1MEN1KMT2AGAA
SCHEMBL7594769 0.82 RAB9A (0.40) RAB9ANPC1MEN1KMT2AGAA
SCHEMBL7593005 0.82 ALDH1A1 (0.43) MEN1KMT2AGAAALDH1A1MAPT

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 RAB9A 3277/4885NPC1 827/4885MEN1 1677/4885

“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.