SCHEMBL7600449

SCHEMBL7600449

CC(=O)N(Cc1ccc(OCc2ccccc2)cc1)c1cc(C(=O)O)ccc1CC[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSPO P30536 1/20 0.53
ALOX5 P09917 2/20 0.48
PTGS1 P23219 1/20 0.48
PTGS2 P35354 1/20 0.48
PTGES O14684 1/20 0.48
NR4A1 P22736 1/20 0.46
NR4A2 P43354 1/20 0.46
NR4A3 Q92570 1/20 0.46
MAOB P27338 3/20 0.45
SRD5A2 P31213 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
PPARA Q07869 1/20 0.43
PLA2G4B P0C869 2/20 0.42
MAOA P21397 1/20 0.42
LPAR1 Q92633 1/20 0.42
LPAR5 Q9H1C0 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 1/20 0.42
HTT P42858 1/20 0.42
NR1H4 Q96RI1 1/20 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
SCHEMBL7598805 0.90 TSPO (0.43) TSPOL3MBTL1ALDH1A1POLB
SCHEMBL7591516 0.87 ALDH1A1 (0.47) TSPOPTGESLPAR1LPAR5SMN1; SMN2
SCHEMBL7594893 0.86 LTB4R2 (0.42) TSPOALOX5PTGESALDH1A1
SCHEMBL7595241 0.84 PTGES (0.46) ALOX5PTGESALDH1A1NR1H4
SCHEMBL7593953 0.81 PTGES (0.43) ALOX5PTGESNR4A1NR4A2NR4A3
SCHEMBL7591466 0.80 LTB4R2 (0.43) L3MBTL1SMN1; SMN2ALDH1A1HTTTDP1
SCHEMBL7593590 0.79 TSHR (0.39) SRD5A2SMN1; SMN2ALDH1A1
SCHEMBL7593036 0.79 TAS2R14 (0.42) ALDH1A1POLB
SCHEMBL7596127 0.79 TSPO (0.48) TSPOSMN1; SMN2ALDH1A1
SCHEMBL7591701 0.78 LTB4R2 (0.41) LPAR1LPAR5

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 TSPO 3749/4885ALOX5 1265/4885PTGS1 322/4885

“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.