SCHEMBL2643399

SCHEMBL2643399

OCCOc1ccccc1[S]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
RECQL P46063 1/20 0.50
IDO1 P14902 1/20 0.48
LMNA P02545 4/20 0.43
GAA P10253 2/20 0.43
JAK2 O60674 1/20 0.43
MAPT P10636 1/20 0.43
TP53 P04637 1/20 0.40
MAPK1 P28482 1/20 0.40
RAB9A P51151 1/20 0.40
KDM4E B2RXH2 1/20 0.40
HTT P42858 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
PDE5A O76074 1/20 0.39
HTR1D P28221 1/20 0.39
HTR1B P28222 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HTR7 P34969 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL29510942 0.84 ALDH1A1 (0.61) ALDH1A1RECQLIDO1LMNAGAA
SCHEMBL238824 0.84 ALDH1A1 (0.61) ALDH1A1RECQLIDO1LMNAGAA
SCHEMBL7821244 0.81 LMNA (0.62) ALDH1A1RECQLIDO1LMNAGAA
SCHEMBL1402282 0.78 CYP1A2 (0.47) ALDH1A1LMNAGAAJAK2MAPT
SCHEMBL7051554 0.78 ALDH1A1 (0.42) ALDH1A1RECQLLMNAGAAJAK2
SCHEMBL1938309 0.77 TP53 (0.57) ALDH1A1RECQLIDO1LMNATP53
SCHEMBL543714 0.77 CYP1A2 (0.60) LMNAGAAMAPTHTR1DHTR1B
SCHEMBL1030614 0.76 GAA (0.75) ALDH1A1RECQLIDO1LMNAGAA
SCHEMBL11767538 0.76 LMNA (0.56) ALDH1A1RECQLIDO1LMNAGAA
SCHEMBL10005201 0.76 LMNA (0.56) ALDH1A1RECQLIDO1LMNAGAA

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 1207/4885RECQL 4077/4885IDO1 3431/4885
US-20060258701-A1 Novel 2-pyridinecarboxamide derivatives GCKR, GCK, HK2 ALDH1A1 1249/4885RECQL 4000/4885IDO1 3483/4885
US-20100041660-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES GCKR, GCK, HK2 ALDH1A1 1207/4885RECQL 4077/4885IDO1 3431/4885

“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.