SCHEMBL2533532

SCHEMBL2533532

CCCOC(=O)Nc1c[c]ccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 8/20 0.57
SMN1; SMN2 Q16637 9/20 0.52
MAPK1 P28482 3/20 0.52
ALDH1A1 P00352 3/20 0.52
RAB9A P51151 9/20 0.48
LMNA P02545 2/20 0.48
TP53 P04637 3/20 0.47
NPC1 O15118 8/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
TSHR P16473 1/20 0.44
MAPT P10636 2/20 0.43
CASP1 P29466 1/20 0.43
KDM4E B2RXH2 1/20 0.43
MCL1 Q07820 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
RECQL P46063 1/20 0.43

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
SCHEMBL4800127 0.91 RAB9A (0.59) HPGDSMN1; SMN2MAPK1ALDH1A1RAB9A
SCHEMBL7015447 0.90 RAB9A (0.54) HPGDSMN1; SMN2MAPK1ALDH1A1RAB9A
SCHEMBL1419617 0.88 MAPK1 (0.54) HPGDSMN1; SMN2MAPK1ALDH1A1RAB9A
SCHEMBL962241 0.83 NPSR1 (0.45) HPGDSMN1; SMN2RAB9ALMNATP53
SCHEMBL963802 0.81 RAB9A (0.44) HPGDSMN1; SMN2RAB9ALMNATP53
SCHEMBL2535856 0.81 SMN1; SMN2 (0.62) HPGDSMN1; SMN2MAPK1ALDH1A1RAB9A
SCHEMBL7016574 0.81 ALDH1A1 (0.53) HPGDSMN1; SMN2MAPK1ALDH1A1LMNA
SCHEMBL3229905 0.80 HPGD (0.67) HPGDSMN1; SMN2MAPK1ALDH1A1RAB9A
SCHEMBL359677 0.80 SMN1; SMN2 (0.48) HPGDSMN1; SMN2MAPK1ALDH1A1RAB9A
SCHEMBL7564873 0.79 HPGD (0.79) HPGDSMN1; SMN2MAPK1ALDH1A1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1642898-B1 HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE MSD KK (JP) 2013-03-27 EP disclosed
US-8044070-B2 Heteroaryloxy nitrogenous saturated heterocyclic derivative MSD K.K. (JP) 2011-10-25 US disclosed
US-20100210637-A1 HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE MSD K.K. (JP) 2010-08-19 US disclosed
US-7595316-B2 Heteroaryloxy nitrogenous saturated heterocyclic derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-09-29 US disclosed
US-20060178375-A1 Heteroaryloxy nitrogenous saturated heterocyclic derivative MSD K.K. (JP) 2006-08-10 US disclosed
EP-1642898-A1 HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-04-05 EP disclosed
EP-0889034-B1 AMINOPYRIDINE DERIVATIVES BANYU PHARMA CO LTD (JP) 2003-09-17 EP disclosed
US-6011039-A USEFUL AS NEUROPEPTIDE Y RECEPTOR ANTAGONISTS; TREATING HYPERPHAGIA, OBESITY OR DIABETES BANYU PHARMACEUTICAL CO., LTD. (JP) 2000-01-04 US disclosed
EP-0889034-A1 AMINOPYRIDINE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 1999-01-07 EP disclosed
CN-1091288-A The oxytocin antagonist OTSUKA PHARMA CO LTD (JP) 1994-08-31 CN 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-20060178375-A1 Heteroaryloxy nitrogenous saturated heterocyclic derivative HRH3, HRH4, HCRTR2 HPGD 477/4885SMN1; SMN2 3569/4885MAPK1 1283/4885
US-20100210637-A1 HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE HRH3, HRH4, HRH2 HPGD 345/4885SMN1; SMN2 3448/4885MAPK1 2500/4885

“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.