SCHEMBL4187602

SCHEMBL4187602

O=CNC1(C(=O)O)CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.35
CYP1A2 P05177 1/20 0.35
USP2 O75604 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 1/20 0.32
FABP4 P15090 1/20 0.31
FABP5 Q01469 1/20 0.31

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
SCHEMBL7350471 0.98 CYP1A2 (0.36) CYP2C19CYP1A2USP2HTTSMN1; SMN2
SCHEMBL18731192 0.93 CYP1A2 (0.33) CYP1A2FABP4
SCHEMBL3239495 0.88
SCHEMBL10898072 0.86 FFAR3 (0.31)
SCHEMBL2842007 0.77 KDM4E (0.36)
SCHEMBL7205756 0.77 MAPT (0.47) ALDH1A1
SCHEMBL59600 0.75 CYP2C19 (0.41) CYP2C19CYP1A2USP2HTTSMN1; SMN2
SCHEMBL7517975 0.75 MEN1 (0.36)
SCHEMBL27588601 0.75
SCHEMBL3815734 0.74 MAPT (0.45) ALDH1A1

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-10023558-B2 Compounds CHIESI FARMACEUTICI S.P.A. (IT) 2018-07-17 US disclosed
US-20180009787-A1 NOVEL COMPOUNDS CHIESI FARMACEUTICI S.P.A. (IT) 2018-01-11 US disclosed
US-9802919-B1 Compounds CHIESI FARMACEUTICI S.P.A. (IT) 2017-10-31 US disclosed
US-8785631-B2 Oxazolone derivative compounds having a 3-oxa-1-azaspiro[4.5] core SEIKAGAKU CORPORATION (JP) 2014-07-22 US disclosed
WO-2009132452-A1 DIARYL-CYCLYLALKYL DERIVATIVES AS CALCIUM CHANNEL BLOCKERS NEUROMED PHARMACEUTICALS LTD. (CA) 2009-11-05 WO disclosed
EP-1611109-A4 NOVEL QUINAZOLINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMACEUTICAL CO LTD (JP) 2009-06-24 EP disclosed
US-20090131661-A1 Oxazolone Derivatives SEIKAGAKU CORPORATION (JP) 2009-05-21 US disclosed
EP-1975162-A1 OXAZOLONE DERIVATIVE SEIKAGAKU CORPORATION (JP) 2008-10-01 EP disclosed
EP-1611109-A1 NOVEL QUINAZOLINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMACEUTICAL CO., LTD (JP) 2006-01-04 EP disclosed
WO-2004087680-A1 NOVEL QUINAZOLINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMACEUTICAL CO., LTD. (JP) 2004-10-14 WO disclosed
EP-0986551-A1 SULFONAMIDE DERIVATIVES, THEIR PRODUCTION AND USE Takeda Pharmaceutical Company Limited (JP) 2000-03-22 EP disclosed
WO-1998054164-A1 SULFONAMIDE DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-12-03 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 (3 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-20090131661-A1 Oxazolone Derivatives CTSK, CTSZ, CTSV CYP2C19 1270/4885CYP1A2 957/4885USP2 1160/4885
US-10023558-B2 Compounds SERPINB1, ELANE, MPO CYP2C19 1268/4885CYP1A2 1100/4885USP2 2244/4885
US-20180009787-A1 NOVEL COMPOUNDS SERPINB1, ELANE, MPO CYP2C19 2801/4885CYP1A2 2698/4885USP2 2201/4885

“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.