SCHEMBL7596743

SCHEMBL7596743

CC(=O)N(Cc1ccc(Cl)cc1Cl)c1cc(C(=O)O)ccc1CC[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 2/20 0.40
MRGPRX4 Q96LA9 4/20 0.39
POLB P06746 2/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
NR4A1 P22736 1/20 0.38
NR4A3 Q92570 1/20 0.38
ABL1 P00519 3/20 0.38
BCR P11274 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.36
MBOAT4 Q96T53 1/20 0.36
TSPO P30536 1/20 0.36
IP6K1 Q92551 1/20 0.36
PTGDR Q13258 1/20 0.36
HCAR3 P49019 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
SCHEMBL7593525 0.89 TAS2R14 (0.41) NR4A2POLBMEN1MAPTKMT2A
SCHEMBL7594873 0.85 HCAR3 (0.36) NR4A2POLBMEN1KMT2ASMN1; SMN2
SCHEMBL7593590 0.84 TSHR (0.39) MEN1MAPTKMT2ASMN1; SMN2HCAR3
SCHEMBL6298686 0.83 NR4A2 (0.46) NR4A2MRGPRX4NR4A1NR4A3SMN1; SMN2
SCHEMBL7598805 0.82 TSPO (0.43) POLBMEN1KMT2ATSPOHCAR3
SCHEMBL7593036 0.82 TAS2R14 (0.42) POLBMEN1KMT2AHCAR3
SCHEMBL7590097 0.81 TAS2R14 (0.41) NR4A2POLBMEN1MAPTKMT2A
SCHEMBL7594765 0.80 ALDH1A1 (0.38) POLBHCAR3
SCHEMBL7596127 0.79 TSPO (0.48) MAPTSMN1; SMN2TSPO
SCHEMBL7916896 0.79 TAS2R14 (0.41) NR4A2POLBMEN1MAPTKMT2A

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 NR4A2 2119/4885MRGPRX4 3647/4885POLB 192/4885

“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.