SCHEMBL973778

SCHEMBL973778

Cc1nc2cc(C(=O)O)ccn2c1C

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.45
KDM4E B2RXH2 3/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
MAPT P10636 2/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
AKT1 P31749 1/20 0.39
AKT2 P31751 1/20 0.39
ALDH1A1 P00352 3/20 0.39
POLB P06746 2/20 0.39
HTT P42858 2/20 0.38
CGAS Q8N884 1/20 0.38
GAA P10253 2/20 0.37
HSP90AA1 P07900 1/20 0.37
ESR2 Q92731 1/20 0.37
PKM P14618 1/20 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
SCHEMBL31212121 0.85 AKT1 (0.40) KDM4EKMT2AMEN1MAPTSMN1; SMN2
SCHEMBL1428462 0.84 TDP1 (0.42) TDP1KDM4EKMT2AMEN1MAPT
SCHEMBL22366513 0.84 TDP1 (0.42) TDP1KDM4EKMT2AMEN1MAPT
SCHEMBL976070 0.83 KDM4E (0.48) TDP1KDM4EKMT2AMEN1MAPT
SCHEMBL22145959 0.81 TDP1 (0.41) TDP1KDM4EKMT2AMEN1MAPT
SCHEMBL977962 0.78 SMN1; SMN2 (0.41) KDM4EKMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL22587714 0.77 NR1H4 (0.43) KDM4EKMT2AMEN1MAPTSMN1; SMN2
SCHEMBL12618933 0.76 MAPT (0.36) KDM4EKMT2AMEN1MAPTALDH1A1
SCHEMBL22366507 0.75 BRD4 (0.42) AKT1AKT2HTT
SCHEMBL22588100 0.75 KMT2A (0.42) KDM4EKMT2AMEN1MAPTSMN1; SMN2

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
EP-2235016-B1 AZABICYCLIC CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2013-09-18 EP disclosed
US-8394820-B2 N-azabicyclic carboxamide derivatives, preparation thereof and therapeutic use thereof SANOFI (FR) 2013-03-12 US disclosed
US-20110009444-A1 N-AZABICYCLIC CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2011-01-13 US disclosed
EP-2235016-A1 AZABICYCLIC CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2010-10-06 EP disclosed
WO-2009112679-A1 AZABICYCLIC CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2009-09-17 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-20110009444-A1 N-AZABICYCLIC CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF XDH, NQO2, SLC28A2 TDP1 1292/4885KDM4E 246/4885KMT2A 648/4885

“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.