SCHEMBL4640254

SCHEMBL4640254

CCc1ccc(Br)cc1OCCCOC

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.45
KMT2A Q03164 3/20 0.45
HPGD P15428 5/20 0.43
L3MBTL1 Q9Y468 4/20 0.43
MAPT P10636 2/20 0.43
ATM Q13315 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.42
NPC1 O15118 2/20 0.42
LMNA P02545 2/20 0.42
RAB9A P51151 2/20 0.42
MEN1 O00255 2/20 0.38
USP2 O75604 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 2/20 0.38
ALDH1A1 P00352 1/20 0.36
PYCR1 P32322 1/20 0.36

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
SCHEMBL4641066 0.87 KDM4E (0.48) KDM4EKMT2AHPGDL3MBTL1MAPT
SCHEMBL27430150 0.86 SMN1; SMN2 (0.41) KDM4EKMT2AHPGDMAPTSMN1; SMN2
SCHEMBL21043305 0.85 KDM4E (0.44) KDM4EKMT2AHPGDMAPTSMN1; SMN2
SCHEMBL20576916 0.84 ALDH1A1 (0.41) KDM4EKMT2AHPGDL3MBTL1MAPT
SCHEMBL16981123 0.81 HPGD (0.42) KDM4EKMT2AHPGDL3MBTL1MAPT
SCHEMBL4743467 0.81 L3MBTL1 (0.41) KDM4EHPGDL3MBTL1MAPTATM
SCHEMBL12120443 0.80 HTT (0.47) KDM4EHPGDL3MBTL1MAPTATM
SCHEMBL17893778 0.79 L3MBTL1 (0.53) KDM4EKMT2AHPGDL3MBTL1MAPT
SCHEMBL29521181 0.79 MAPT (0.50) KDM4EKMT2AHPGDL3MBTL1MAPT
SCHEMBL429553 0.79 KDM4E (0.50) KDM4EKMT2AHPGDL3MBTL1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080293701-A1 1-Acylamino-2-Hydroxy-3-Amino- -Arylalkanes as Renin Inhibitors VITAE PHARMACEUTICALS, INC. 2008-11-27 US disclosed
US-20080293701-A1 1-Acylamino-2-Hydroxy-3-Amino- -Arylalkanes as Renin Inhibitors VITAE PHARMACEUTICALS, INC. 2008-11-27 US disclosed
US-20080293701-A1 1-Acylamino-2-Hydroxy-3-Amino- -Arylalkanes as Renin Inhibitors VITAE PHARMACEUTICALS, INC. 2008-11-27 US disclosed
EP-1958666-A1 Heterocyclic-substituted alkanamides as therapeutic compounds Speedel Experimenta AG (CH) 2008-08-20 EP disclosed
US-20080176947-A1 Heterocyclic-Substituted Alkanamides Useful as Renin Inhibitors NOVARTIS AG (CH) 2008-07-24 US disclosed
EP-1856032-A1 HETEROCYCLIC-SUBSTITUTED ALKANAMIDES USEFUL AS RENIN INHIBITORS Speedel Experimenta AG (CH) 2007-11-21 EP disclosed
EP-1844002-A1 1-ACYLAMINO-2-HYDROXY-3-AMINO-W-ARYLALKANES AS RENIN INHIBITORS Vitae Pharmaceuticals, Inc. (US) 2007-10-17 EP disclosed
WO-2006095020-A1 HETEROCYCLIC-SUBSTITUTED ALKANAMIDES USEFUL AS RENIN INHIBITORS SPEEDEL EXPERIMENTA AG (CH) 2006-09-14 WO disclosed
WO-2006083924-A1 1-ACYLAMINO-2-HYDROXY-3-AMINO-W-ARYLALKANES AS RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2006-08-10 WO disclosed
WO-2006083924-A1 1-ACYLAMINO-2-HYDROXY-3-AMINO-W-ARYLALKANES AS RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2006-08-10 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-20080176947-A1 Heterocyclic-Substituted Alkanamides Useful as Renin Inhibitors REN, ACE, AGTR1 KDM4E 1612/4885KMT2A 2552/4885HPGD 504/4885
US-20080293701-A1 1-Acylamino-2-Hydroxy-3-Amino- -Arylalkanes as Renin Inhibitors REN, AGTR1, AGTR2 KDM4E 3418/4885KMT2A 2789/4885HPGD 156/4885

“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.