SCHEMBL1086256

SCHEMBL1086256

Cc1[c]c(-c2ccccc2F)no1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.45
RAB9A P51151 9/20 0.45
SMN1; SMN2 Q16637 5/20 0.45
GAA P10253 2/20 0.45
KMT2A Q03164 4/20 0.43
NFKB1 P19838 3/20 0.43
NFKB2 Q00653 3/20 0.43
RELA Q04206 3/20 0.43
MEN1 O00255 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
PTGS1 P23219 1/20 0.41
PKM P14618 2/20 0.40
MAPK1 P28482 1/20 0.40
TUBB4A P04350 2/20 0.39
TUBB P07437 2/20 0.39
TUBA3C P0DPH7 2/20 0.39
TUBA1B P68363 2/20 0.39
TUBA4A P68366 2/20 0.39
TUBB4B P68371 2/20 0.39
TUBB3 Q13509 2/20 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
SCHEMBL27910270 0.79 SMN1; SMN2 (0.44) NPC1RAB9ASMN1; SMN2GAAKMT2A
SCHEMBL27910283 0.79 SMN1; SMN2 (0.43) NPC1RAB9ASMN1; SMN2GAAKMT2A
SCHEMBL1086652 0.79 PTGS1 (0.47) NPC1RAB9ASMN1; SMN2KMT2APTGS1
SCHEMBL18524397 0.79 NPC1 (0.40) NPC1RAB9ASMN1; SMN2GAAKMT2A
SCHEMBL9873089 0.78 KCNH2 (0.39) SMN1; SMN2KMT2AMEN1L3MBTL1PTGS1
SCHEMBL1679666 0.73 LMNA (0.44) NPC1SMN1; SMN2GAAKMT2AMEN1
SCHEMBL314833 0.73 BRD4 (0.47) NPC1RAB9AGAAKMT2ANFKB1
SCHEMBL6004541 0.70 PTGS2 (0.39) NPC1RAB9ASMN1; SMN2KMT2APTGS1
SCHEMBL9936299 0.70 HSD11B1 (0.36) NPC1RAB9APTGS1MAPTTP53
SCHEMBL16404611 0.69 BRD4 (0.56) NPC1RAB9ASMN1; SMN2GAAKMT2A

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
CN-103313982-A Phenyl-isoxazole derivatives and process for the preparation thereof IL YANG PHARM CO LTD 2013-09-18 CN claimed
CN-103313982-A Phenyl-isoxazole derivatives and process for the preparation thereof IL YANG PHARM CO LTD 2013-09-18 CN disclosed
US-8153795-B2 Substituted 1-oxa-3,8-diazaspiro[4.5]-decan-2-one-compounds and the use thereof for producing drugs GRUENENTHAL GMBH (DE) 2012-04-10 US disclosed
EP-1910381-B1 SUBSTITUTED 1-OXA-3,8-DIAZASPIRO[4.5]-DECAN-2-ON- COMPOUNDS AND THE USE THEREOF FOR PRODUCING DRUGS GRUENENTHAL GMBH (DE) 2009-06-03 EP disclosed
US-20090105290-A1 Substituted 1-oxa-3,8-diazaspiro[4.5]-decan-2-one-Compounds and the Use Thereof for Producing Drugs GRUENENTHAL GMBH (DE) 2009-04-23 US disclosed
EP-1910381-A2 SUBSTITUTED 1-OXA-3,8-DIAZASPIRO[4.5]-DECAN-2-ON- COMPOUNDS AND THE USE THEREOF FOR PRODUCING DRUGS Grünenthal GmbH (DE) 2008-04-16 EP disclosed
WO-2007000325-A2 SUBSTITUTED 1-OXA-3,8-DIAZASPIRO[4.5]-DECAN-2-ON- COMPOUNDS AND THE USE THEREOF FOR PRODUCING DRUGS Grünenthal GmbH (DE) 2007-01-04 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 (1 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-20090105290-A1 Substituted 1-oxa-3,8-diazaspiro[4.5]-decan-2-one-Compounds and the Use Thereof for Producing Drugs DDO, DAO, OTC NPC1 2536/4885RAB9A 4568/4885SMN1; SMN2 3067/4885

“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.