SCHEMBL7595995

SCHEMBL7595995

CCCC(=O)N(Cc1cccc(Cl)c1)c1cc(C(=O)O)ccc1CC[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS2R14 Q9NYV8 2/20 0.41
LMNA P02545 2/20 0.40
MAPT P10636 2/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
ATM Q13315 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
LTB4R2 Q9NPC1 5/20 0.37
PRSS1 P07477 2/20 0.37
PRSS2 P07478 2/20 0.37
PRSS3 P35030 2/20 0.37
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
RXRG P48443 1/20 0.36
NR4A2 P43354 1/20 0.36
HCAR3 P49019 2/20 0.35
RIPK1 Q13546 1/20 0.35
AOC3 Q16853 1/20 0.35

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
SCHEMBL7593565 0.90 LTB4R2 (0.43) TAS2R14LMNAALDH1A1LTB4R2HCAR3
SCHEMBL7590647 0.89 MAPT (0.40) TAS2R14LMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL7592924 0.83 LTB4R2 (0.48) TAS2R14ALDH1A1LTB4R2HCAR3
SCHEMBL7591623 0.82 LTB4R2 (0.40) TAS2R14LMNAALDH1A1ATMLTB4R2
SCHEMBL7595231 0.82 ALDH1A1 (0.37) LMNAMAPTALDH1A1LTB4R2HCAR3
SCHEMBL7593000 0.81 HCAR3 (0.42) MAPTALDH1A1LTB4R2HCAR3
SCHEMBL7590089 0.79 TAS2R14 (0.42) TAS2R14LMNAALDH1A1SMN1; SMN2LTB4R2
SCHEMBL7596955 0.78 HCAR3 (0.44) LMNAALDH1A1HCAR3
SCHEMBL7598805 0.78 TSPO (0.43) TAS2R14LMNAALDH1A1LTB4R2HCAR3
SCHEMBL7597825 0.77 LTB4R2 (0.45) LTB4R2HCAR3AOC3

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 TAS2R14 3615/4885LMNA 225/4885MAPT 4390/4885

“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.