SCHEMBL7596953

SCHEMBL7596953

CCC(C)C(=O)Nc1cc(C(=O)O)ccc1C(C)[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 10/20 0.48
KDM4E B2RXH2 3/20 0.48
ALDH1A1 P00352 2/20 0.48
LMNA P02545 1/20 0.48
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
GAA P10253 1/20 0.40
ADORA3 P0DMS8 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
HSD17B10 Q99714 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
SCHEMBL7593606 0.88 HCAR3 (0.46) HCAR3KDM4EALDH1A1LMNAKMT2A
SCHEMBL7592996 0.84 POLB (0.53) HCAR3KDM4EALDH1A1LMNAKMT2A
SCHEMBL7593562 0.83 KMT2A (0.43) HCAR3KDM4EALDH1A1LMNARAB9A
SCHEMBL7597821 0.83 MME (0.44) ALDH1A1RAB9AKMT2A
SCHEMBL7594499 0.83 HCAR3 (0.47) HCAR3KDM4EALDH1A1KMT2A
SCHEMBL7596213 0.83 ALDH1A1 (0.51) HCAR3KDM4EALDH1A1LMNAKMT2A
SCHEMBL7592920 0.81 ALDH1A1 (0.42) HCAR3KDM4EALDH1A1KMT2A
SCHEMBL7590643 0.81 MEN1 (0.43) HCAR3KDM4EALDH1A1LMNARAB9A
SCHEMBL7916870 0.80 HCAR3 (0.59) HCAR3ALDH1A1RAB9AKMT2A
SCHEMBL7593563 0.80 HCAR3 (0.46) HCAR3RAB9AKMT2A

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 HCAR3 3869/4885KDM4E 2132/4885ALDH1A1 487/4885

“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.