SCHEMBL7596906

SCHEMBL7596906

CC(=O)Nc1ccc(C(=O)O)cc1C(C)N

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NEU3 Q9UQ49 1/20 0.55
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
ALDH1A1 P00352 4/20 0.46
HPGD P15428 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
KDM4E B2RXH2 5/20 0.43
MAPT P10636 5/20 0.43
GRM1 Q13255 2/20 0.43
HSD17B10 Q99714 2/20 0.43
CYP1A2 P05177 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MAPK1 P28482 1/20 0.43
NPC1 O15118 3/20 0.42
GAA P10253 3/20 0.42
THRB P10828 2/20 0.42
GFER P55789 2/20 0.42
HTT P42858 1/20 0.42
PLEC Q15149 1/20 0.42
HCAR3 P49019 3/20 0.41

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
SCHEMBL7593014 0.84 MAPT (0.47) MEN1KMT2AALDH1A1HPGDSMN1; SMN2
SCHEMBL7593456 0.80 HCAR3 (0.50) NEU3MEN1KMT2AALDH1A1HPGD
SCHEMBL7594615 0.78 GRM1 (0.56) MEN1KMT2AALDH1A1SMN1; SMN2KDM4E
SCHEMBL3891611 0.78 NPC1 (0.64) NEU3MEN1KMT2AALDH1A1HPGD
SCHEMBL2344997 0.77 GAA (0.63) NEU3MEN1KMT2AALDH1A1HPGD
Hydrochloric Acid SCHEMBL8374327 0.76 GAA (0.61) NEU3MEN1KMT2AALDH1A1HPGD
SCHEMBL28803059 0.75 ALDH1A1 (0.53) MEN1KMT2AALDH1A1HPGDSMN1; SMN2
SCHEMBL28803057 0.75 ALDH1A1 (0.53) MEN1KMT2AALDH1A1HPGDSMN1; SMN2
3-Hydroxy-4-Acetylaminobenzoic Acid SCHEMBL8018270 0.75 MAPT (0.65) NEU3MEN1KMT2AALDH1A1HPGD
3-Hydroxy-4-Acetylaminobenzoic Acid SCHEMBL31026207 0.75 MAPT (0.65) NEU3MEN1KMT2AALDH1A1HPGD

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 NEU3 1734/4885MEN1 1677/4885KMT2A 1590/4885

“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.