SCHEMBL7595231

SCHEMBL7595231

CCCC(=O)N(Cc1ccccc1Br)c1cc(C(=O)O)ccc1CC[N+](=O)[O-]

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.37
HCAR3 P49019 3/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
TP53 P04637 1/20 0.36
CYP3A4 P08684 2/20 0.35
CYP2C19 P33261 2/20 0.35
CYP1A2 P05177 1/20 0.35
MAPT P10636 1/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
LTB4R2 Q9NPC1 2/20 0.35
AGTR1 P30556 2/20 0.34
AGTR2 P50052 2/20 0.34
KDM4E B2RXH2 1/20 0.34
FOLH1 Q04609 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
CYP2D6 P10635 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 0.89 LTB4R2 (0.43) ALDH1A1HCAR3TP53CYP3A4CYP2C19
SCHEMBL7591623 0.88 LTB4R2 (0.40) ALDH1A1HCAR3MEN1KMT2ATP53
SCHEMBL7590089 0.85 TAS2R14 (0.42) ALDH1A1HCAR3MEN1KMT2ATP53
SCHEMBL7593000 0.83 HCAR3 (0.42) ALDH1A1HCAR3TP53MAPTLTB4R2
SCHEMBL7590647 0.82 MAPT (0.40) ALDH1A1HCAR3MEN1KMT2AMAPT
SCHEMBL7592924 0.82 LTB4R2 (0.48) ALDH1A1HCAR3LTB4R2
SCHEMBL7595995 0.82 TAS2R14 (0.41) ALDH1A1HCAR3MEN1KMT2AMAPT
SCHEMBL7596955 0.81 HCAR3 (0.44) ALDH1A1HCAR3CYP3A4CYP2C19CYP1A2
SCHEMBL7593609 0.78 HCAR3 (0.40) ALDH1A1HCAR3
SCHEMBL7593036 0.77 TAS2R14 (0.42) ALDH1A1HCAR3MEN1KMT2ACYP3A4

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 ALDH1A1 487/4885HCAR3 3869/4885MEN1 1677/4885

“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.