SCHEMBL1097789

SCHEMBL1097789

O=C(Nc1cccc(Br)c1)N1CCOCC1

nearest known ligand 0.72

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.68
RAB9A P51151 2/20 0.68
CYP2C9 P11712 1/20 0.68
CYP2C19 P33261 1/20 0.68
ALDH1A1 P00352 2/20 0.65
HTT P42858 1/20 0.65
SMN1; SMN2 Q16637 4/20 0.61
MAPT P10636 3/20 0.61
GAA P10253 2/20 0.61
HPGD P15428 1/20 0.61
NPSR1 Q6W5P4 1/20 0.61
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
THRB P10828 1/20 0.57
LMNA P02545 1/20 0.57
KDM4E B2RXH2 1/20 0.55
TP53 P04637 1/20 0.55
FAAH O00519 1/20 0.54

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
SCHEMBL3916937 1.00 NPC1 (0.68) NPC1RAB9ACYP2C9CYP2C19ALDH1A1
SCHEMBL15033571 0.84 NPC1 (0.70) NPC1RAB9ACYP2C9CYP2C19ALDH1A1
SCHEMBL11197051 0.82 ALDH1A1 (0.76) NPC1RAB9ACYP2C9CYP2C19ALDH1A1
SCHEMBL4310718 0.82 KDM4E (0.68) RAB9ACYP2C9CYP2C19ALDH1A1HTT
SCHEMBL20237020 0.82 SMN1; SMN2 (0.68) NPC1RAB9ACYP2C9CYP2C19ALDH1A1
SCHEMBL1407210 0.82 NPC1 (0.68) NPC1RAB9ACYP2C9CYP2C19ALDH1A1
SCHEMBL12693 0.82 ALDH1A1 (0.76) NPC1RAB9ACYP2C9CYP2C19ALDH1A1
SCHEMBL5433044 0.82 LMNA (0.57) RAB9ACYP2C9CYP2C19ALDH1A1HTT
SCHEMBL12694399 0.82 NPC1 (0.68) NPC1RAB9ACYP2C9CYP2C19ALDH1A1
SCHEMBL4395856 0.82 POLB (0.66) RAB9ACYP2C9CYP2C19ALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8153647-B2 Aryl- and heteroaryl-ethyl-acylguanidine derivatives, their preparation and their application in therapeutics SANOFI-AVENTIS (FR) 2012-04-10 US disclosed
CN-101466694-B Aryl-and heteroaryl-ethyl-acylguanidine derivatives, their preparation and their use in therapeutics SANOFI AVENTIS 2012-03-21 CN disclosed
EP-2035401-B1 ARYL- AND HETEROARYL-ETHYL-ACYLGUANIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPEUTICS SANOFI AVENTIS (FR) 2011-02-23 EP disclosed
US-20090203696-A1 Aryl- and Heteroaryl-Ethyl-Acylguanidine Derivatives, Their Preparation and Their Application in Therapeutics SANOFI-AVENTIS (FR) 2009-08-13 US disclosed
CN-101466694-A Aryl-and heteroaryl-ethyl-acylguanidine derivatives, their preparation and their use in therapeutics SANOFI AVENTIS (FR) 2009-06-24 CN disclosed
EP-2035401-A2 ARYL- AND HETEROARYL-ETHYL-ACYLGUANIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPEUTICS Sanofi-Aventis (FR) 2009-03-18 EP disclosed
WO-2007144769-A2 ARYL- AND HETEROARYL-ETHYL-ACYLGUANIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPEUTICS SANOFI-AVENTIS (FR) 2007-12-21 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-20090203696-A1 Aryl- and Heteroaryl-Ethyl-Acylguanidine Derivatives, Their Preparation and Their Application in Therapeutics RAB9A, UGT1A9, CD59 NPC1 517/4885RAB9A 1/4885CYP2C9 4/4885

“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.