SCHEMBL6324640

SCHEMBL6324640

COc1cc(CNCCc2ccccn2)ccc1OCc1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.70
TP53 P04637 1/20 0.68
ALOX15 P16050 1/20 0.67
SMARCA2 P51531 1/20 0.66
LMNA P02545 4/20 0.64
KMT2A Q03164 4/20 0.64
HTT P42858 3/20 0.64
SMN1; SMN2 Q16637 3/20 0.64
KDM4E B2RXH2 2/20 0.64
NPY1R P25929 1/20 0.64
NPY2R P49146 1/20 0.64
MEN1 O00255 3/20 0.62
L3MBTL1 Q9Y468 3/20 0.62
HTR1A P08908 1/20 0.62
HTR7 P34969 1/20 0.62
HTR6 P50406 1/20 0.62
NLRP3 Q96P20 1/20 0.62
ALDH1A1 P00352 1/20 0.62
SLC2A1 P11166 1/20 0.59
CYP1A2 P05177 1/20 0.57

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
Hydrochloric Acid SCHEMBL4949263 0.84 BCHE (0.77) BCHETP53LMNAKMT2AHTT
SCHEMBL6324807 0.83 SLC2A1 (0.55) BCHETP53ALOX15SMARCA2LMNA
SCHEMBL19532621 0.82 BCHE (1.00) BCHELMNAKMT2AHTTSMN1; SMN2
SCHEMBL8781021 0.82 KDM4E (0.65) BCHETP53ALOX15SMARCA2LMNA
SCHEMBL3051565 0.81 LMNA (0.74) BCHETP53SMARCA2LMNAKMT2A
SCHEMBL6324830 0.81 SLC2A1 (0.53) BCHETP53ALOX15SMARCA2LMNA
SCHEMBL9416614 0.80 LMNA (0.73) BCHETP53LMNAKMT2AHTT
SCHEMBL6325964 0.80 KMT2A (0.52) BCHETP53ALOX15SMARCA2LMNA
SCHEMBL6322772 0.79 BCHE (0.72) BCHEKMT2AMEN1ALDH1A1
SCHEMBL13973184 0.79 BCHE (0.69) BCHETP53LMNAKMT2AHTT

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 3800/4885TP53 1/4885ALOX15 3004/4885

“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.