SCHEMBL1049577

SCHEMBL1049577

O=C(Nc1cnc2ccccc2c1)c1cc2cc(F)ccc2n1Cc1cccc(F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.48
RAB9A P51151 4/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
MAPT P10636 1/20 0.48
NFKB1 P19838 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
KDR P35968 4/20 0.47
ECE1 P42892 5/20 0.47
F10 P00742 1/20 0.46
FLT1 P17948 1/20 0.46
MAOB P27338 1/20 0.46
FAAH O00519 1/20 0.46
TRPV1 Q8NER1 2/20 0.45
ALDH1A1 P00352 1/20 0.45
KDM4E B2RXH2 1/20 0.44
MITF O75030 1/20 0.44
XBP1 P17861 1/20 0.44
PAX8 Q06710 1/20 0.44
KLF5 Q13887 1/20 0.44

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
SCHEMBL3150006 0.89 MAOB (0.49) NPC1RAB9AMAPTECE1F10
SCHEMBL926597 0.85 F10 (0.44) ECE1F10MAOBFAAHPPARG
SCHEMBL927456 0.85 TNIK (0.53) ECE1F10MAOBFAAHCCR2
SCHEMBL2900723 0.83 ECE1 (0.58) ECE1F10MAOBPPARGCCR2
SCHEMBL974519 0.83 ECE1 (0.58) ECE1F10MAOBCCR2
SCHEMBL926660 0.83 MAOB (0.47) ECE1F10MAOBCCR2
SCHEMBL1053385 0.83 F10 (0.46) NPC1RAB9ASMN1; SMN2MAPTECE1
SCHEMBL1051409 0.83 F10 (0.44) NPC1RAB9AMAPTECE1F10
SCHEMBL3158017 0.83 MAOB (0.47) ECE1F10MAOBPPARGCCR2
SCHEMBL3148861 0.83 MAOB (0.50) NPC1RAB9ASMN1; SMN2ECE1F10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2235014-B1 BICYCLIC DERIVATIVES OF AZABICYCLIC CARBOXAMIDES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2013-10-09 EP claimed
US-8299114-B2 Bicyclic derivatives of azabicyclic carboxamides, preparation thereof and therapeutic use thereof SANOFI (FR) 2012-10-30 US claimed
US-20110009400-A1 BICYCLIC DERIVATIVES OF AZABICYCLIC CARBOXAMIDES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2011-01-13 US claimed
US-8604050-B2 Bicyclic derivatives of azabicyclic carboxamides, preparation thereof and therapeutic use thereof SANOFI (FR) 2013-12-10 US disclosed
EP-2235014-B1 BICYCLIC DERIVATIVES OF AZABICYCLIC CARBOXAMIDES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2013-10-09 EP disclosed
US-8299114-B2 Bicyclic derivatives of azabicyclic carboxamides, preparation thereof and therapeutic use thereof SANOFI (FR) 2012-10-30 US disclosed
US-20120252837-A1 BICYCLIC DERIVATIVES OF AZABICYCLIC CARBOXAMIDES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-10-04 US disclosed
US-20110009400-A1 BICYCLIC DERIVATIVES OF AZABICYCLIC CARBOXAMIDES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2011-01-13 US 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-20110009400-A1 BICYCLIC DERIVATIVES OF AZABICYCLIC CARBOXAMIDES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF XDH, NQO2, HDAC1 NPC1 2071/4885RAB9A 2888/4885SMN1; SMN2 2365/4885
US-20120252837-A1 BICYCLIC DERIVATIVES OF AZABICYCLIC CARBOXAMIDES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF XDH, NQO2, HDAC1 NPC1 2071/4885RAB9A 2888/4885SMN1; SMN2 2365/4885

“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.