SCHEMBL752655

SCHEMBL752655

[CH2]c1nc(C(=O)NC)cs1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.54
RAB9A P51151 2/20 0.53
NPC1 O15118 1/20 0.53
POLB P06746 1/20 0.53
GAA P10253 1/20 0.51
NR1I2 O75469 1/20 0.42
AHR P35869 1/20 0.42
HDAC1 Q13547 3/20 0.37
HDAC8 Q9BY41 3/20 0.37
HDAC6 Q9UBN7 3/20 0.37
TLR7 Q9NYK1 2/20 0.37
BAZ2B Q9UIF8 1/20 0.37
KDM4E B2RXH2 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
BRD4 O60885 1/20 0.36
CNR1 P21554 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HIF1A Q16665 1/20 0.35

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
SCHEMBL14959207 0.81 HPGD (0.54) HPGDRAB9ANPC1POLBGAA
SCHEMBL2642827 0.80 HIF1A (0.41) HPGDRAB9ANPC1POLBGAA
SCHEMBL4894745 0.79 P4HTM (0.39) HPGDRAB9ANPC1POLBGAA
SCHEMBL162579 0.78 HPGD (0.56) HPGDRAB9ANPC1POLBGAA
SCHEMBL752656 0.78 RAB9A (0.58) HPGDRAB9ANPC1POLBGAA
SCHEMBL2927818 0.78 HPGD (0.56) HPGDRAB9ANPC1POLBGAA
SCHEMBL2643508 0.78
SCHEMBL18236192 0.77 HPGD (0.54) HPGDRAB9ANPC1POLBGAA
SCHEMBL751695 0.77 MAOA (0.49) RAB9ANPC1GAAKDM4EL3MBTL1
Methyl Alcohol SCHEMBL15648146 0.77 TLR7 (0.59) HPGDRAB9ANPC1POLBGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2430006-B1 CYCLOPENTA[C]PYRROLE-2-CARBOXYLATE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2014-11-26 EP claimed
EP-2430012-B1 7-AZA-SPIRO[3.5]NONANE-7-CARBOXYLATE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2014-11-05 EP claimed
EP-2430012-A1 7-AZA-SPIRO[3.5]NONANE-7-CARBOXYLATE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-03-21 EP claimed
WO-2010130945-A1 7-AZA-SPIRO[3.5]NONANE-7-CARBOXYLATE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-11-18 WO claimed
EP-2430006-B1 CYCLOPENTA[C]PYRROLE-2-CARBOXYLATE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2014-11-26 EP disclosed
EP-2430012-B1 7-AZA-SPIRO[3.5]NONANE-7-CARBOXYLATE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2014-11-05 EP disclosed
US-8765789-B2 2-pyridinecarboxamide derivatives MSD K.K. (JP) 2014-07-01 US disclosed
US-20130085156-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES MSD K.K. (JP) 2013-04-04 US disclosed
EP-2344486-B1 ALKYLTHIAZOL CARBAMATE DERIVATIVES, PREPARATION THEREOF AND THEIR USE AS FAAH INHIBITORS SANOFI SA (FR) 2013-03-27 EP disclosed
US-8344003-B2 2-pyridinecarboxamide derivatives MSD K. K. (JP) 2013-01-01 US disclosed
EP-2430012-A1 7-AZA-SPIRO[3.5]NONANE-7-CARBOXYLATE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-03-21 EP disclosed
EP-2344486-A2 ALKYLTHIAZOL CARBAMATE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2011-07-20 EP disclosed
WO-2010130945-A1 7-AZA-SPIRO[3.5]NONANE-7-CARBOXYLATE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-11-18 WO disclosed
US-20100041660-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES MSD K.K. (JP) 2010-02-18 US disclosed
WO-2010010288-A2 ALKYLTHIAZOL CARBAMATE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-01-28 WO disclosed
US-7629362-B2 2-pyridine carboxamide derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-12-08 US disclosed
US-20060258701-A1 Novel 2-pyridinecarboxamide derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-11-16 US disclosed
EP-1598349-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-11-23 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 (3 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-20130085156-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES GCKR, GCK, HK2 HPGD 2127/4885RAB9A 3609/4885NPC1 4261/4885
US-20060258701-A1 Novel 2-pyridinecarboxamide derivatives GCKR, GCK, HK2 HPGD 2159/4885RAB9A 3535/4885NPC1 4274/4885
US-20100041660-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES GCKR, GCK, HK2 HPGD 2127/4885RAB9A 3609/4885NPC1 4261/4885

“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.