SCHEMBL7593565

SCHEMBL7593565

CCCC(=O)N(Cc1ccccc1)c1cc(C(=O)O)ccc1CC[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LTB4R2 Q9NPC1 5/20 0.43
HCAR3 P49019 3/20 0.39
ALDH1A1 P00352 3/20 0.39
TP53 P04637 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
TRPM8 Q7Z2W7 1/20 0.37
TAS2R14 Q9NYV8 2/20 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
SCHEMBL7590647 0.91 MAPT (0.40) LTB4R2HCAR3ALDH1A1LMNAPOLB
SCHEMBL7592924 0.91 LTB4R2 (0.48) LTB4R2HCAR3ALDH1A1TAS2R14
SCHEMBL7595995 0.90 TAS2R14 (0.41) LTB4R2HCAR3ALDH1A1LMNATAS2R14
SCHEMBL7595231 0.89 ALDH1A1 (0.37) LTB4R2HCAR3ALDH1A1TP53CYP1A2
SCHEMBL7591623 0.89 LTB4R2 (0.40) LTB4R2HCAR3ALDH1A1TP53CYP1A2
SCHEMBL7598805 0.87 TSPO (0.43) LTB4R2HCAR3ALDH1A1CYP1A2CYP3A4
SCHEMBL7590089 0.86 TAS2R14 (0.42) LTB4R2HCAR3ALDH1A1TP53CYP1A2
SCHEMBL7593000 0.86 HCAR3 (0.42) LTB4R2HCAR3ALDH1A1TP53
SCHEMBL7597825 0.85 LTB4R2 (0.45) LTB4R2HCAR3
SCHEMBL7596955 0.83 HCAR3 (0.44) HCAR3ALDH1A1CYP1A2CYP3A4CYP2C19

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 LTB4R2 1901/4885HCAR3 3869/4885ALDH1A1 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.