SCHEMBL2635945

SCHEMBL2635945

Cc1cc(Br)ccc1C(=O)NC1CCOCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.49
MEN1 O00255 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C19 P33261 1/20 0.47
KMT2A Q03164 1/20 0.47
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
HPGD P15428 1/20 0.45
HTT P42858 1/20 0.45
KDM1A O60341 3/20 0.45
TSHR P16473 1/20 0.44
FLT1 P17948 1/20 0.43
FLT4 P35916 1/20 0.43
KDR P35968 1/20 0.43
TAS1R3 Q7RTX0 1/20 0.43
TAS1R1 Q7RTX1 1/20 0.43
TAS1R2 Q8TE23 1/20 0.43
CHEK1 O14757 1/20 0.43
TTK P33981 1/20 0.43
GABRA5 P31644 1/20 0.43

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
SCHEMBL455691 0.90 RAB9A (0.53) SMN1; SMN2MEN1CYP1A2CYP2C19KMT2A
SCHEMBL13162001 0.86 NPC1 (0.55) SMN1; SMN2CYP1A2CYP2C19NPC1RAB9A
SCHEMBL13162870 0.84 SMN1; SMN2 (0.50) SMN1; SMN2NPC1RAB9AKDM1ATSHR
SCHEMBL28481025 0.84 MEN1 (0.51) SMN1; SMN2MEN1CYP1A2CYP2C19KMT2A
SCHEMBL2595672 0.83 ALDH1A1 (0.51) SMN1; SMN2NPC1RAB9AHPGDKDM1A
SCHEMBL21619336 0.83 RAB9A (0.46) MEN1KMT2ANPC1RAB9AHPGD
SCHEMBL13162026 0.83 HPGD (0.56) SMN1; SMN2KMT2ANPC1RAB9AHPGD
SCHEMBL31495198 0.82 KMT2A (0.52) SMN1; SMN2MEN1CYP1A2CYP2C19KMT2A
SCHEMBL13162687 0.82 SMN1; SMN2 (0.48) SMN1; SMN2NPC1RAB9AKDM1ATSHR
SCHEMBL13162029 0.81 HPGDS (0.57) SMN1; SMN2MEN1KMT2ANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2206707-B1 AZOLECARBOXAMIDE COMPOUND OR SALT THEREOF ASTELLAS PHARMA INC (JP) 2014-07-23 EP disclosed
US-8754095-B2 Substituted N-heterocycloalkyl bipyrrolidinylphenyl amide derivatives, preparation and therapeutic use thereof SANOFI (FR) 2014-06-17 US disclosed
US-8754095-B2 Substituted N-heterocycloalkyl bipyrrolidinylphenyl amide derivatives, preparation and therapeutic use thereof SANOFI (FR) 2014-06-17 US disclosed
EP-2569297-A1 SUBSTITUTED N-HETEROCYCLOALKYL BIPYRROLIDINYLPHENYL AMIDE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI (FR) 2013-03-20 EP disclosed
US-20130059891-A1 SUBSTITUTED N-HETEROCYCLOALKYL BIPYRROLIDINYLPHENYL AMIDE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI (FR) 2013-03-07 US disclosed
US-20130059891-A1 SUBSTITUTED N-HETEROCYCLOALKYL BIPYRROLIDINYLPHENYL AMIDE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI (FR) 2013-03-07 US disclosed
US-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 US disclosed
WO-2011143161-A1 SUBSTITUTED N-HETEROCYCLOALKYL BIPYRROLIDINYLPHENYL AMIDE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI (FR) 2011-11-17 WO disclosed
WO-2011143161-A1 SUBSTITUTED N-HETEROCYCLOALKYL BIPYRROLIDINYLPHENYL AMIDE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI (FR) 2011-11-17 WO disclosed
US-20100249088-A1 AZOLECARBOXAMIDE COMPOUND OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2010-09-30 US disclosed
EP-2206707-A1 AZOLECARBOXAMIDE COMPOUND OR SALT THEREOF Astellas Pharma Inc. (JP) 2010-07-14 EP 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-20130059891-A1 SUBSTITUTED N-HETEROCYCLOALKYL BIPYRROLIDINYLPHENYL AMIDE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF HRH3, HRH4, HRH1 SMN1; SMN2 2407/4885MEN1 3792/4885CYP1A2 1276/4885
US-20100249088-A1 AZOLECARBOXAMIDE COMPOUND OR SALT THEREOF TRPV1, FGFR3, GPR17 SMN1; SMN2 3213/4885MEN1 4542/4885CYP1A2 3729/4885

“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.