SCHEMBL7593005

SCHEMBL7593005

CCCCCCCC(=O)Nc1c([N+](=O)[O-])ccc(C(=O)O)c1CC

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
GAA P10253 2/20 0.41
HPGD P15428 1/20 0.41
LMNA P02545 1/20 0.40
SOAT1 P35610 3/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
SOAT2 O75908 1/20 0.40
MAPT P10636 1/20 0.40
HCAR3 P49019 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
SCHEMBL7596958 0.95 KDM4E (0.46) ALDH1A1KDM4EMEN1KMT2AGAA
SCHEMBL7596218 0.90 LMNA (0.43) KDM4EMEN1KMT2AGAAHPGD
SCHEMBL7593569 0.87 RAB9A (0.54) ALDH1A1MEN1KMT2AGAALMNA
SCHEMBL7593567 0.86 RAB9A (0.37) ALDH1A1KDM4EGAALMNACYP1A2
SCHEMBL7596229 0.85 KMT2A (0.42) ALDH1A1KDM4EMEN1KMT2AGAA
SCHEMBL7592927 0.84 RAB9A (0.43) ALDH1A1KDM4EMEN1KMT2AGAA
SCHEMBL7590650 0.84 HDAC3 (0.44) ALDH1A1KDM4EMEN1KMT2AGAA
SCHEMBL7598810 0.83 RAB9A (0.56) ALDH1A1KDM4EMEN1KMT2AGAA
SCHEMBL7591625 0.82 RAB9A (0.40) ALDH1A1KDM4EMEN1KMT2AGAA
SCHEMBL7595232 0.82 RAB9A (0.40) ALDH1A1KDM4EMEN1KMT2AGAA

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 ALDH1A1 487/4885KDM4E 2132/4885MEN1 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.