SCHEMBL165800

SCHEMBL165800

CC(C)NC(=O)c1cccc([O])c1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.61
ERN1 O75460 3/20 0.51
ROCK2 O75116 3/20 0.48
CYP3A4 P08684 1/20 0.48
CYP3A5 P20815 1/20 0.48
HPGD P15428 1/20 0.48
GAA P10253 1/20 0.47
KMT2A Q03164 1/20 0.47
HSD17B10 Q99714 1/20 0.47
MAOB P27338 1/20 0.47
ALDH1A1 P00352 2/20 0.46
ATM Q13315 1/20 0.46
MLYCD O95822 1/20 0.46
ROCK1 Q13464 1/20 0.46
KDM4E B2RXH2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 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
SCHEMBL8593124 0.88 NPSR1 (0.69) NPSR1ERN1ROCK2CYP3A4CYP3A5
SCHEMBL164968 0.83 ALDH1A1 (0.60) HPGDGAAKMT2AHSD17B10ALDH1A1
SCHEMBL1754131 0.81 ATM (0.67) NPSR1KMT2AATMHDAC8HDAC6
SCHEMBL30522592 0.81 ATM (0.67) NPSR1KMT2AATMHDAC8HDAC6
SCHEMBL13753397 0.81 NPSR1 (0.61) NPSR1ERN1ROCK2CYP3A4CYP3A5
SCHEMBL14355565 0.81 NPSR1 (0.61) NPSR1ERN1ROCK2CYP3A4CYP3A5
SCHEMBL165801 0.81 KDM4E (0.61) NPSR1ERN1ROCK2CYP3A4CYP3A5
SCHEMBL13702108 0.81 ERN1 (0.62) NPSR1ERN1ROCK2CYP3A4CYP3A5
SCHEMBL162858 0.80 HDAC8 (0.68) HPGDGAAKMT2AHSD17B10ALDH1A1
SCHEMBL3650360 0.80 NPSR1 (0.59) NPSR1ERN1ROCK2CYP3A4CYP3A5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9856210-B2 Pharmaceutical composition for prevention and treatment of amyotrophic lateral sclerosis KYOTO UNIVERSITY (JP) 2018-01-02 US disclosed
EP-2611437-B1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS UNIV KYOTO (JP) 2017-03-29 EP disclosed
US-8765789-B2 2-pyridinecarboxamide derivatives MSD K.K. (JP) 2014-07-01 US disclosed
US-20130225642-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS KYOTO UNIVERSITY (JP) 2013-08-29 US disclosed
EP-2611437-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS Kyoto University (JP) 2013-07-10 EP 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
WO-2012029994-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS KYOTO UNIVERSITY (JP) 2012-03-08 WO 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 (4 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-20130225642-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS SMN1; SMN2, SOD1, SOD3 NPSR1 4694/4885ERN1 1210/4885ROCK2 3887/4885
US-20130085156-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES GCKR, GCK, HK2 NPSR1 3400/4885ERN1 1144/4885ROCK2 3300/4885
US-20060258701-A1 Novel 2-pyridinecarboxamide derivatives GCKR, GCK, HK2 NPSR1 3341/4885ERN1 1144/4885ROCK2 3307/4885
US-20100041660-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES GCKR, GCK, HK2 NPSR1 3400/4885ERN1 1144/4885ROCK2 3300/4885

“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.