SCHEMBL2534597

SCHEMBL2534597

CCCOC(=O)Nc1[c]cccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.48
SMN1; SMN2 Q16637 6/20 0.47
RAB9A P51151 3/20 0.47
NPC1 O15118 2/20 0.47
TP53 P04637 2/20 0.47
ALDH1A1 P00352 4/20 0.47
MAPK1 P28482 2/20 0.47
LMNA P02545 3/20 0.44
CYP1A2 P05177 2/20 0.43
CYP2C19 P33261 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
NFKB1 P19838 1/20 0.42
STAT1 P42224 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
MAPT P10636 1/20 0.41
THRB P10828 1/20 0.41
GAA P10253 1/20 0.40
HDAC3 O15379 1/20 0.39

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
SCHEMBL122020 0.91 SMN1; SMN2 (0.53) HPGDSMN1; SMN2RAB9ANPC1TP53
SCHEMBL1416126 0.87 HPGD (0.49) HPGDSMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL965267 0.82 TSHR (0.43) SMN1; SMN2RAB9ANPC1TP53LMNA
SCHEMBL5477263 0.81 NPC1 (0.34) HPGDSMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL5476071 0.81 NPC1 (0.34) HPGDSMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL962111 0.81 SMN1; SMN2 (0.39) SMN1; SMN2RAB9ANPC1TP53LMNA
SCHEMBL1415961 0.80 SMN1; SMN2 (0.43) HPGDSMN1; SMN2RAB9ANPC1TP53
SCHEMBL2035775 0.78 NPC1 (0.54) SMN1; SMN2RAB9ANPC1TP53ALDH1A1
SCHEMBL114046 0.77 MEN1 (0.47) HPGDSMN1; SMN2ALDH1A1MAPK1MEN1
SCHEMBL326983 0.76 CES2 (0.41) HPGDSMN1; SMN2RAB9ANPC1TP53

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 6 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

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 3569/4885RAB9A 2274/4885
US-20100210637-A1 HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE HRH3, HRH4, HRH2 HPGD 345/4885SMN1; SMN2 3448/4885RAB9A 2471/4885

“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.