SCHEMBL7593040

SCHEMBL7593040

CCc1c(C(=O)O)ccc([N+](=O)[O-])c1NC(=O)CCc1ccccc1C

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.45
RAB9A P51151 5/20 0.43
NPC1 O15118 4/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 5/20 0.43
NOTUM Q6P988 1/20 0.42
GAA P10253 2/20 0.41
LMNA P02545 3/20 0.40
KCNMA1 Q12791 1/20 0.39
POLB P06746 1/20 0.38
TSHR P16473 1/20 0.36
FBP1 P09467 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
SCHEMBL7593528 0.89 RAB9A (0.42) MAPTRAB9ANPC1MEN1KMT2A
SCHEMBL7594769 0.88 RAB9A (0.40) MAPTRAB9ANPC1MEN1KMT2A
SCHEMBL7598810 0.87 RAB9A (0.56) MAPTRAB9ANPC1MEN1KMT2A
SCHEMBL7596130 0.87 KMT2A (0.43) MAPTRAB9ANPC1MEN1KMT2A
SCHEMBL7595162 0.85 GAA (0.43) MAPTRAB9AMEN1KMT2AALDH1A1
SCHEMBL7594895 0.83 RAB9A (0.49) MAPTRAB9ANPC1MEN1KMT2A
SCHEMBL7596218 0.83 LMNA (0.43) MAPTRAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL7594876 0.82 ALDH1A1 (0.41) MAPTRAB9ANPC1MEN1KMT2A
SCHEMBL7593569 0.82 RAB9A (0.54) MAPTRAB9ANPC1MEN1KMT2A
SCHEMBL7595232 0.82 RAB9A (0.40) MAPTRAB9ANPC1MEN1KMT2A

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 MAPT 4390/4885RAB9A 3277/4885NPC1 827/4885

“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.