SCHEMBL2642756

SCHEMBL2642756

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

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
SMN1; SMN2 Q16637 3/20 0.48
TDP1 Q9NUW8 1/20 0.48
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
HPGD P15428 1/20 0.46
ALOX12 P18054 1/20 0.46
GAA P10253 1/20 0.46
ATM Q13315 1/20 0.45
HTT P42858 1/20 0.44
CREBBP Q92793 1/20 0.44
MAOB P27338 1/20 0.44
MAPK1 P28482 1/20 0.44
NPSR1 Q6W5P4 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
SCHEMBL279656 0.85 ALDH1A1 (0.59) ALDH1A1MEN1KMT2ASMN1; SMN2TDP1
SCHEMBL28879942 0.79 ALDH1A1 (0.55) ALDH1A1MEN1KMT2ASMN1; SMN2TDP1
SCHEMBL8377993 0.78 TDP1 (0.65) ALDH1A1MEN1KMT2ASMN1; SMN2TDP1
SCHEMBL1803227 0.78 CA12 (0.60) ALDH1A1MEN1KMT2ATDP1HPGD
SCHEMBL10389918 0.78 MAP4K4 (0.59) ALDH1A1MEN1KMT2ASMN1; SMN2TDP1
SCHEMBL4958273 0.78 ALDH1A1 (0.53) ALDH1A1MEN1KMT2ASMN1; SMN2TDP1
SCHEMBL2642425 0.76 ALDH1A1 (0.52) ALDH1A1MEN1KMT2ASMN1; SMN2TDP1
SCHEMBL1203138 0.76 PARP1 (0.61) MEN1KMT2ATDP1
SCHEMBL12377929 0.76 ALDH1A1 (0.52) ALDH1A1MEN1KMT2ASMN1; SMN2TDP1
Sulfuric Acid SCHEMBL28400618 0.76 ALDH1A1 (0.58) ALDH1A1MEN1KMT2ASMN1; SMN2TDP1

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 ALDH1A1 1207/4885MEN1 4502/4885KMT2A 1297/4885
US-20060258701-A1 Novel 2-pyridinecarboxamide derivatives GCKR, GCK, HK2 ALDH1A1 1249/4885MEN1 4528/4885KMT2A 1311/4885
US-20100041660-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES GCKR, GCK, HK2 ALDH1A1 1207/4885MEN1 4502/4885KMT2A 1297/4885

“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.