SCHEMBL7594499

SCHEMBL7594499

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

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 9/20 0.47
KMT2A Q03164 5/20 0.45
MEN1 O00255 4/20 0.45
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MAPT P10636 1/20 0.45
MAPK1 P28482 1/20 0.45
NEU3 Q9UQ49 1/20 0.44
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TSHR P16473 2/20 0.40
CASP6 P55212 1/20 0.40
MYC P01106 1/20 0.39
MAX P61244 1/20 0.39
NPC1 O15118 1/20 0.38

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
SCHEMBL7593456 0.89 HCAR3 (0.50) HCAR3KMT2AMEN1ALDH1A1KDM4E
SCHEMBL7916870 0.85 HCAR3 (0.59) HCAR3KMT2AMEN1ALDH1A1MAPT
SCHEMBL7596213 0.83 ALDH1A1 (0.51) HCAR3KMT2AMEN1ALDH1A1KDM4E
SCHEMBL7596953 0.83 HCAR3 (0.48) HCAR3KMT2AALDH1A1KDM4E
SCHEMBL7593563 0.82 HCAR3 (0.46) HCAR3KMT2AMEN1HPGDSMN1; SMN2
SCHEMBL7593606 0.81 HCAR3 (0.46) HCAR3KMT2AMEN1ALDH1A1KDM4E
SCHEMBL7598800 0.80 LTB4R (0.54) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL7592996 0.78 POLB (0.53) HCAR3KMT2AMEN1ALDH1A1KDM4E
SCHEMBL7593562 0.77 KMT2A (0.43) HCAR3KMT2AMEN1ALDH1A1KDM4E
SCHEMBL7594892 0.77 LTB4R (0.62) ALDH1A1MAPT

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 3 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-6369092-B1 Method for treating neoplasia by exposure to substituted benzimidazole derivatives CELL PATHWAYS, INC. 2002-04-09 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 3869/4885KMT2A 1590/4885MEN1 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.