SCHEMBL6322772

SCHEMBL6322772

c1ccc(COc2ccc(CNCCc3ccccn3)cc2)cc1

nearest known ligand 0.72

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BCHE P06276 10/20 0.72
MEN1 O00255 2/20 0.64
KMT2A Q03164 2/20 0.64
ALDH1A1 P00352 1/20 0.57
CA12 O43570 1/20 0.57
CA1 P00915 1/20 0.57
CA2 P00918 1/20 0.57
CA9 Q16790 1/20 0.57
MAPK1 P28482 1/20 0.56

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
SCHEMBL6742452 0.87 CYP1A2 (0.60) MEN1KMT2AALDH1A1
SCHEMBL2587466 0.84 BCHE (1.00) BCHEMEN1KMT2ACA12CA1
Hydrochloric Acid SCHEMBL4456317 0.83 BCHE (0.97) BCHEMEN1KMT2ACA12CA1
SCHEMBL5573633 0.81 CHRM2 (0.60) MEN1KMT2AALDH1A1
SCHEMBL26096633 0.80 BCHE (0.70) BCHEMEN1KMT2A
SCHEMBL14197915 0.80 ALDH1A1 (0.54) BCHEMEN1KMT2AALDH1A1MAPK1
SCHEMBL894215 0.79 BCHE (0.85) BCHEMEN1KMT2A
SCHEMBL6324640 0.79 BCHE (0.70) BCHEMEN1KMT2AALDH1A1
SCHEMBL7760590 0.79 BCHE (1.00) BCHEMEN1KMT2AMAPK1
SCHEMBL11069984 0.79 BCHE (1.00) BCHEMEN1KMT2AMAPK1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050228017-A1 Novel anticancer compounds MORPHOCHEM AKTIENGESELLSCHAFT FUR KOMBINATORISCHE CHEMIE 2005-10-13 US disclosed
EP-1442018-A1 NOVEL ANTICANCER COMPOUNDS Morphochem Aktiengesellschaft Für Kombinatorische Chemie (DE) 2004-08-04 EP disclosed
WO-2003037865-A1 NOVEL ANTICANCER COMPOUNDS Morphochem Aktiengesellschaft für kombinatorische Chemie (DE) 2003-05-08 WO 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-20050228017-A1 Novel anticancer compounds TP53, ABCG2, MCL1 BCHE 3800/4885MEN1 1347/4885KMT2A 3367/4885

“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.