Sugi Predict

Sugi Predict / Compounds / SCHEMBL488830

SCHEMBL488830

SCHEMBL488830

C=CC[N]C(C=C)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C19 P33261 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ KDM4E B2RXH2 3/20 0.35
▸ MAPT P10636 3/20 0.35
▸ ALOX15 P16050 3/20 0.35
▸ CYP3A4 P08684 2/20 0.35
▸ HPGD P15428 2/20 0.33
▸ ALDH1A1 P00352 5/20 0.33
▸ HSD17B10 Q99714 2/20 0.33
▸ HTR2A P28223 1/20 0.32
▸ TAAR1 Q96RJ0 1/20 0.32
▸ OPRD1 P41143 2/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ USP2 O75604 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ HRH1 P35367 1/20 0.30
▸ MTOR P42345 1/20 0.30
▸ RAB9A P51151 1/20 0.30

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
SCHEMBL11579973 0.79 CFTR (0.41) SMN1; SMN2KDM4EMAPTALDH1A1HSD17B10
SCHEMBL11578503 0.77 SLC6A2 (0.38) CYP2C19SMN1; SMN2KDM4EMAPTCYP3A4
SCHEMBL3261585 0.76 CYP2C19 (0.36) CYP2C19SMN1; SMN2KDM4EMAPTALOX15
SCHEMBL2587221 0.76 MIF (0.42) CYP2C19SMN1; SMN2KDM4EMAPTALOX15
SCHEMBL4960730 0.76 TSHR (0.39) CYP2C19SMN1; SMN2KDM4EMAPTALOX15
SCHEMBL10452869 0.73 CYP2C19 (0.36) CYP2C19KDM4EMAPTALOX15CYP3A4
SCHEMBL3258485 0.72 KDM4E (0.40) CYP2C19KDM4EMAPTALOX15CYP3A4
SCHEMBL10596717 0.72 CYP2C9 (0.42) CYP2C19KDM4EHPGDALDH1A1MEN1
SCHEMBL8525246 0.71 ALDH1A1 (0.35) CYP2C19SMN1; SMN2KDM4EMAPTALOX15
SCHEMBL3356925 0.70 SIGMAR1 (0.44) CYP2C19SMN1; SMN2ALOX15CYP3A4ALDH1A1

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 57 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090226411-A1 CHEMICAL DERIVATIVES AND THEIR APPLICATION AS ANTITELOMERASE AGENTS AVENTIS PHARMA S.A. (FR) 2009-09-10 — — US claimed
US-7482352-B2 Chemical derivatives and their application as antitelomerase agents AVENTIS PHARMA S.A. (FR) 2009-01-27 — — US claimed
US-6887873-B2 Triazine derivatives and their application as antitelomerase agents AVENTIS PHARMA S.A. (FR) 2005-05-03 — — US claimed
US-20050070571-A1 Chemical derivatives and their application as antitelomerase agents AVENTIS PHARMA S.A. (FR) 2005-03-31 — — US claimed
US-20030087931-A1 Chemical derivatives and their application as antitelomerease agent AVENTIS PHARMA S.A. (FR) 2003-05-08 — — US claimed
WO-1997046549-A1 ANTI-NEURODEGENERATIVELY EFFECTIVE XANTHENE DERIVATIVES NOVARTIS AG (CH) 1997-12-11 — — WO claimed
EP-0283309-B1 1,2-1,4 Addition reaction sequence leading to diphenylacetylenes MCNEILAB INC (US) 1995-02-15 — — EP claimed
EP-0444156-A4 METHOD FOR TREATING VASCULAR DISEASES — 1992-12-09 — — EP claimed
US-5059589-A Glaucoma treatment ABBOTT LABORATORIES (US) 1991-10-22 — — US claimed
EP-0444156-A1 METHOD FOR TREATING VASCULAR DISEASES ABBOTT LABORATORIES (US) 1991-09-04 — — EP claimed
EP-0311012-A2 Glaucoma treatment ABBOTT LABORATORIES (US) 1989-04-12 — — EP claimed
EP-0307837-A2 Renin-inhibiting peptidyl heterocycles ABBOTT LABORATORIES (US) 1989-03-22 — — EP claimed
US-4772755-A 1,2-1,4 addition reaction sequence leading to disubstituted acelylenes MCNEILAB, INC. (US) 1988-09-20 — — US claimed
EP-0190105-A2 Herbicidal agent CIBA-GEIGY AG (CH) 1986-08-06 — — EP claimed
US-3960886-A Substituted N-arylanilines STERLING DRUG INC. (US) 1976-06-01 — — US claimed
US-8106057-B2 Dihydroxyphenyl isoindolylmethanones ASTEX THERAPEUTICS, LTD. (GB) 2012-01-31 — — US disclosed
US-20100286167-A1 DIHYDROXYPHENYL ISOINDOLYLMETHANONES ASTEX THERAPEUTICS LTD. (GB) 2010-11-11 — — US disclosed
US-4061637-A CNS, CARDIOVASCULAR, ANTIINFLAMMATORY, ADRENOLYTIC, ANTIULCER ISTITUTO LUSO FARMACO D'ITALIA S.R.L. (IT) 1977-12-06 — — US disclosed
US-3988475-A ANAESTHETICS, ANTIARRHYTHMIA, HYPOTENSIVES, ADRENERGIC ISTITUTO LUSO FARMACO D'ITALIA S.R.L. (IT) 1976-10-26 — — US disclosed
US-3970672-A 2,2 Disubstituted-benzodioxoles ISTITUTO LUSO FARMACO D'ITALIA S.R.L. (IT) 1976-07-20 — — US 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 (4 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-20100286167-A1 DIHYDROXYPHENYL ISOINDOLYLMETHANONES HSP90AA1, HSP90AB1, HSP90AB2P CYP2C19 2786/4885SMN1; SMN2 4130/4885KDM4E 3949/4885
US-20030087931-A1 Chemical derivatives and their application as antitelomerease agent DNASE1L3, SERPINB1, BRDT CYP2C19 4766/4885SMN1; SMN2 3476/4885KDM4E 2075/4885
US-20090226411-A1 CHEMICAL DERIVATIVES AND THEIR APPLICATION AS ANTITELOMERASE AGENTS DPYD, NTPCR, NME1 CYP2C19 4190/4885SMN1; SMN2 4626/4885KDM4E 2628/4885
US-20050070571-A1 Chemical derivatives and their application as antitelomerase agents DPYD, NTPCR, NME1 CYP2C19 4190/4885SMN1; SMN2 4626/4885KDM4E 2628/4885

“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.