SCHEMBL7590089

SCHEMBL7590089

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

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TAS2R14 Q9NYV8 2/20 0.42
ALDH1A1 P00352 4/20 0.35
HCAR3 P49019 3/20 0.35
HPGD P15428 1/20 0.35
KMT2A Q03164 4/20 0.35
MEN1 O00255 3/20 0.35
LMNA P02545 2/20 0.35
TP53 P04637 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
POLB P06746 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
LTB4R2 Q9NPC1 1/20 0.33

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 0.86 LTB4R2 (0.43) TAS2R14ALDH1A1HCAR3LMNATP53
SCHEMBL7591623 0.85 LTB4R2 (0.40) TAS2R14ALDH1A1HCAR3KMT2AMEN1
SCHEMBL7595231 0.85 ALDH1A1 (0.37) ALDH1A1HCAR3KMT2AMEN1LMNA
SCHEMBL7593000 0.81 HCAR3 (0.42) ALDH1A1HCAR3TP53LTB4R2
SCHEMBL7592924 0.80 LTB4R2 (0.48) TAS2R14ALDH1A1HCAR3LTB4R2
SCHEMBL7590647 0.80 MAPT (0.40) TAS2R14ALDH1A1HCAR3KMT2AMEN1
SCHEMBL7595995 0.79 TAS2R14 (0.41) TAS2R14ALDH1A1HCAR3KMT2AMEN1
SCHEMBL7596955 0.78 HCAR3 (0.44) ALDH1A1HCAR3LMNACYP1A2CYP3A4
SCHEMBL6170421 0.77 MAPT (0.43) TAS2R14ALDH1A1KMT2AMEN1LMNA
SCHEMBL7591701 0.76 LTB4R2 (0.41) TAS2R14LTB4R2

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 487/4885HCAR3 3869/4885

“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.