SCHEMBL2867595

SCHEMBL2867595

[NH]c1nc(-c2ccccc2)nc(Cl)c1-c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.55
KMT2A Q03164 6/20 0.55
HTT P42858 1/20 0.55
LMNA P02545 3/20 0.50
L3MBTL1 Q9Y468 3/20 0.41
POLB P06746 2/20 0.41
ADORA2A P29274 2/20 0.41
ADORA1 P30542 2/20 0.41
ADORA3 P0DMS8 1/20 0.41
ADORA2B P29275 1/20 0.41
NPC1 O15118 2/20 0.38
MAPK1 P28482 1/20 0.38
RAB9A P51151 1/20 0.38
DHPS P49366 1/20 0.38
ALDH1A1 P00352 3/20 0.38
HPGD P15428 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 1/20 0.37
PKM P14618 1/20 0.37
KDR P35968 1/20 0.37

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
SCHEMBL3427195 0.86 MEN1 (0.65) MEN1KMT2AHTTLMNAL3MBTL1
SCHEMBL31626660 0.82 MEN1 (0.61) MEN1KMT2AHTTLMNAL3MBTL1
Methyl Alcohol SCHEMBL10711715 0.80 MEN1 (0.59) MEN1KMT2AHTTLMNAL3MBTL1
SCHEMBL21399135 0.78 KMT2A (0.57) MEN1KMT2AHTTLMNAL3MBTL1
SCHEMBL26167674 0.77 LMNA (0.70) MEN1KMT2AHTTLMNAL3MBTL1
SCHEMBL2867597 0.77 KMT2A (0.66) MEN1KMT2AHTTLMNAL3MBTL1
SCHEMBL7849702 0.76 MEN1 (0.53) MEN1KMT2AHTTLMNAL3MBTL1
SCHEMBL8660654 0.76 LMNA (0.58) MEN1KMT2AHTTLMNAL3MBTL1
SCHEMBL2876016 0.75 KDM4E (0.43) MEN1KMT2AHTTLMNAL3MBTL1
SCHEMBL376122 0.74 LMNA (0.73) MEN1KMT2AHTTLMNAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7858642-B2 Substituted hydroxyethylamine aspartyl protease inhibitors ELAN PHARMACEUTICALS, INC. (US) 2010-12-28 US disclosed
US-20090270367-A1 SUBSTITUTED HYDROXYETHYLAMINE ASPARTYL PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. 2009-10-29 US disclosed
EP-1730125-A2 SUBSTITUTED HYDROXYETHYLAMINE ASPARTYL PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2006-12-13 EP disclosed
US-20050239836-A1 Substituted hydroxyethylamine aspartyl protease inhibitors ELAN PHARMACEUTICALS, INC. 2005-10-27 US disclosed
WO-2005087751-A2 SUBSTITUTED HYDROXYETHYLAMINE ASPARTYL PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2005-09-22 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 (2 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-20090270367-A1 SUBSTITUTED HYDROXYETHYLAMINE ASPARTYL PROTEASE INHIBITORS DNPEP, MME, ANPEP MEN1 680/4885KMT2A 596/4885HTT 18/4885
US-20050239836-A1 Substituted hydroxyethylamine aspartyl protease inhibitors DNPEP, MME, ANPEP MEN1 680/4885KMT2A 596/4885HTT 18/4885

“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.