SCHEMBL2364705

SCHEMBL2364705

CCCCCc1cnc(Cl)c(C(=O)O)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KAT8 Q9H7Z6 2/20 0.52
NFKB1 P19838 2/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
RARB P10826 7/20 0.49
PPARA Q07869 2/20 0.49
ALDH1A1 P00352 3/20 0.48
KDM4E B2RXH2 2/20 0.48
MEN1 O00255 1/20 0.48
LMNA P02545 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
MAPT P10636 1/20 0.48
PKM P14618 1/20 0.48
ALOX15 P16050 1/20 0.48
TSHR P16473 1/20 0.48
THPO P40225 1/20 0.48

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
SCHEMBL3252310 0.95 NFKB1 (0.53) KAT8NFKB1NPC1RAB9ASMN1; SMN2
SCHEMBL11065001 0.83 KAT8 (0.57) KAT8NFKB1NPC1RAB9ASMN1; SMN2
SCHEMBL8628648 0.83 SMN1; SMN2 (0.46) KAT8NFKB1NPC1RAB9ASMN1; SMN2
SCHEMBL3256061 0.82 GABRP (0.45) NFKB1NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL9168365 0.82 KAT8 (0.56) KAT8NFKB1NPC1RAB9ASMN1; SMN2
SCHEMBL3255349 0.79 SMN1; SMN2 (0.43) NFKB1NPC1RAB9ASMN1; SMN2NFKB2
SCHEMBL29172965 0.77 KEAP1 (0.41) KAT8SMN1; SMN2RARBPPARAALDH1A1
SCHEMBL28573526 0.76 LMNA (0.42) SMN1; SMN2ALDH1A1KDM4ELMNACYP3A4
SCHEMBL2852928 0.74 CHRNB2 (0.40) NFKB1NPC1RAB9ASMN1; SMN2NFKB2
SCHEMBL10898270 0.74 KAT8 (0.70) KAT8RARBPPARAALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110301140-A1 Pyridine Carboxamide orexin Receptor Antagonists BERGMAN JEFFREY M (US) 2011-12-08 US disclosed
US-8003797-B2 Pyridine carboxamide orexin receptor antagonists MERCK SHARP & DOHME CORP. (US) 2011-08-23 US disclosed
US-20100197652-A1 PYRIDINE CARBOXAMIDE OREXIN RECEPTOR ANTAGONISTS MERCK & CO., INC. 2010-08-05 US disclosed
EP-2184981-A1 PYRIDINE CARBOXAMIDE OREXIN RECEPTOR ANTAGONISTS Merck Sharp & Dohme Corp. (US) 2010-05-19 EP disclosed
WO-2009020642-A1 PYRIDINE CARBOXAMIDE OREXIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2009-02-12 WO 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 (2 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-20100197652-A1 PYRIDINE CARBOXAMIDE OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY1R KAT8 4092/4885NFKB1 3548/4885NPC1 1009/4885
US-20110301140-A1 Pyridine Carboxamide orexin Receptor Antagonists HCRTR2, HCRTR1, NPY1R KAT8 4092/4885NFKB1 3548/4885NPC1 1009/4885

“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.