SCHEMBL7593036

SCHEMBL7593036

CC(=O)N(Cc1ccccc1C)c1cc(C(=O)O)ccc1CC[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TAS2R14 Q9NYV8 2/20 0.42
ALDH1A1 P00352 7/20 0.40
KMT2A Q03164 3/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2C19 P33261 2/20 0.38
CYP1A2 P05177 1/20 0.38
TSHR P16473 3/20 0.38
CYP2D6 P10635 1/20 0.38
POLB P06746 2/20 0.38
LMNA P02545 1/20 0.38
HCAR3 P49019 4/20 0.36
MEN1 O00255 2/20 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
SCHEMBL7593525 0.88 TAS2R14 (0.41) TAS2R14ALDH1A1KMT2ACYP3A4CYP2C19
SCHEMBL7598805 0.88 TSPO (0.43) TAS2R14ALDH1A1KMT2ACYP3A4CYP2C19
SCHEMBL7594765 0.87 ALDH1A1 (0.38) ALDH1A1CYP3A4CYP2C19CYP1A2CYP2D6
SCHEMBL7596127 0.86 TSPO (0.48) TAS2R14ALDH1A1LMNA
SCHEMBL7594893 0.84 LTB4R2 (0.42) ALDH1A1
SCHEMBL7595160 0.84 POLB (0.42) TAS2R14ALDH1A1KMT2ACYP3A4CYP2C19
SCHEMBL7596184 0.83 LTB4R2 (0.39) ALDH1A1CYP3A4LMNA
SCHEMBL7595241 0.82 PTGES (0.46) ALDH1A1KMT2ACYP1A2MEN1
SCHEMBL7596743 0.82 NR4A2 (0.40) KMT2APOLBHCAR3MEN1
SCHEMBL7594873 0.82 HCAR3 (0.36) ALDH1A1KMT2ACYP3A4CYP2C19CYP1A2

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 3615/4885ALDH1A1 487/4885KMT2A 1590/4885

“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.