SCHEMBL7595241

SCHEMBL7595241

CC(=O)N(Cc1ccc2ccccc2c1)c1cc(C(=O)O)ccc1CC[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 2/20 0.46
ALOX5 P09917 2/20 0.46
TRPM8 Q7Z2W7 1/20 0.39
ACHE P22303 1/20 0.38
SLC6A2 P23975 2/20 0.38
SLC6A4 P31645 2/20 0.38
SLC6A3 Q01959 1/20 0.38
CYP1A2 P05177 1/20 0.38
PDK2 Q15119 1/20 0.37
PDK4 Q16654 1/20 0.37
PDK1 Q15118 1/20 0.37
SLC16A3 O15427 1/20 0.37
NR1H4 Q96RI1 1/20 0.37
GRIN2D O15399 1/20 0.37
GRIN2A Q12879 1/20 0.37
GRIN2B Q13224 1/20 0.37
GRIN2C Q14957 1/20 0.37
PTGER4 P35408 1/20 0.37
PTGER2 P43116 1/20 0.37
KCNH2 Q12809 1/20 0.36

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 0.89 TSPO (0.43) CYP1A2MEN1KMT2AALDH1A1
SCHEMBL7594893 0.88 LTB4R2 (0.42) PTGESALOX5ALDH1A1
SCHEMBL7591516 0.84 ALDH1A1 (0.47) PTGESALDH1A1
SCHEMBL7593590 0.84 TSHR (0.39) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL7600449 0.84 TSPO (0.53) PTGESALOX5NR1H4ALDH1A1
SCHEMBL7593953 0.82 PTGES (0.43) PTGESALOX5TRPM8NR1H4
SCHEMBL7593036 0.82 TAS2R14 (0.42) CYP1A2MEN1KMT2AALDH1A1
SCHEMBL7591466 0.82 LTB4R2 (0.43) TRPM8ALDH1A1
SCHEMBL7593525 0.81 TAS2R14 (0.41) CYP1A2MEN1KMT2AALDH1A1
SCHEMBL7594765 0.80 ALDH1A1 (0.38) ALOX5SLC6A2SLC6A4CYP1A2ALDH1A1

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 PTGES 853/4885ALOX5 1265/4885TRPM8 3907/4885

“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.