SCHEMBL2877056

SCHEMBL2877056

[NH]c1nc2ccccc2nc1Cl

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.67
KDM4E B2RXH2 5/20 0.50
PKM P14618 1/20 0.50
MAPT P10636 3/20 0.48
L3MBTL1 Q9Y468 5/20 0.44
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
KMT2A Q03164 3/20 0.41
ALDH1A1 P00352 3/20 0.40
GAA P10253 2/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HTR3B O95264 1/20 0.40
HTR3A P46098 1/20 0.40
HRH4 Q9H3N8 1/20 0.40
NPSR1 Q6W5P4 2/20 0.39
RXFP1 Q9HBX9 2/20 0.39
LMNA P02545 1/20 0.39
NQO2 P16083 2/20 0.39
POLB P06746 2/20 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
SCHEMBL29451077 0.81 TDP1 (1.00) TDP1KDM4EPKMMAPTL3MBTL1
SCHEMBL116696 0.81 TDP1 (1.00) TDP1KDM4EPKMMAPTL3MBTL1
SCHEMBL1670942 0.70 TDP1 (0.67) TDP1KDM4EPKMMAPTL3MBTL1
SCHEMBL121118 0.70 MAPT (0.67) TDP1KDM4EPKMMAPTL3MBTL1
SCHEMBL17442716 0.70 TDP1 (0.67) TDP1KDM4EPKMMAPTL3MBTL1
SCHEMBL11206926 0.70 TDP1 (0.75) TDP1KDM4EPKMMAPTL3MBTL1
SCHEMBL3085978 0.70 TDP1 (0.67) TDP1KDM4EPKMMAPTL3MBTL1
Bicarbonate SCHEMBL10870596 0.70 TDP1 (0.75) TDP1KDM4EPKMMAPTL3MBTL1
SCHEMBL874110 0.70 TDP1 (0.67) TDP1KDM4EPKMMAPTL3MBTL1
SCHEMBL9157834 0.68 TDP1 (0.71) TDP1KDM4EPKMMAPTL3MBTL1

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 TDP1 133/4885KDM4E 1834/4885PKM 1999/4885
US-20050239836-A1 Substituted hydroxyethylamine aspartyl protease inhibitors DNPEP, MME, ANPEP TDP1 133/4885KDM4E 1834/4885PKM 1999/4885

“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.