SCHEMBL2642813

SCHEMBL2642813

CCC(=O)c1cccc([S])c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.47
MAPT P10636 4/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
ATM Q13315 1/20 0.44
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
ACHE P22303 1/20 0.41
ALDH1A1 P00352 3/20 0.40
HPGD P15428 2/20 0.40
HTT P42858 1/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
GAA P10253 1/20 0.39
LMNA P02545 2/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39

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
SCHEMBL10389972 0.87 SMN1; SMN2 (0.54) SMN1; SMN2MAPTL3MBTL1ATMCES2
SCHEMBL13545179 0.79 MEN1 (0.49) SMN1; SMN2MAPTL3MBTL1ATMALDH1A1
SCHEMBL634002 0.79 HPGD (0.59) SMN1; SMN2MAPTALDH1A1HPGDHTT
SCHEMBL2203444 0.79 PARP1 (0.59) MAPTL3MBTL1ALDH1A1HPGDNPC1
SCHEMBL79656 0.79 CA12 (0.57) SMN1; SMN2MAPTL3MBTL1ATMALDH1A1
SCHEMBL4667454 0.79 CA12 (0.52) SMN1; SMN2MAPTL3MBTL1HPGDKMT2A
SCHEMBL14555671 0.79 ATM (0.45) SMN1; SMN2MAPTL3MBTL1ATMCES2
SCHEMBL3033628 0.78 BCL2 (0.50) SMN1; SMN2MAPTL3MBTL1ATMHPGD
SCHEMBL2644142 0.78 MAPT (0.46) SMN1; SMN2MAPTL3MBTL1ATMCES2
SCHEMBL14105973 0.78 MAPT (0.46) SMN1; SMN2MAPTL3MBTL1ATMCES2

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-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
US-8344003-B2 2-pyridinecarboxamide derivatives MSD K. K. (JP) 2013-01-01 US disclosed
US-20100041660-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES MSD K.K. (JP) 2010-02-18 US 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 SMN1; SMN2 4125/4885MAPT 4596/4885L3MBTL1 4342/4885
US-20060258701-A1 Novel 2-pyridinecarboxamide derivatives GCKR, GCK, HK2 SMN1; SMN2 4142/4885MAPT 4612/4885L3MBTL1 4359/4885
US-20100041660-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES GCKR, GCK, HK2 SMN1; SMN2 4125/4885MAPT 4596/4885L3MBTL1 4342/4885

“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.