Sugi Predict

Sugi Predict / Compounds / SCHEMBL408412

SCHEMBL408412

SCHEMBL408412

N#CC(C#N)C(=O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 3/20 0.50
▸ L3MBTL1 Q9Y468 2/20 0.50
▸ CES1 P23141 4/20 0.48
▸ CES2 O00748 3/20 0.48
▸ LMNA P02545 3/20 0.48
▸ MDM2 Q00987 1/20 0.45
▸ CA2 P00918 2/20 0.44
▸ CA4 P22748 2/20 0.44
▸ TSHR P16473 3/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ DAO P14920 1/20 0.44
▸ NAPRT Q6XQN6 1/20 0.44
▸ HPGD P15428 3/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ ALPG P10696 1/20 0.43
▸ ALKBH5 Q6P6C2 1/20 0.41
▸ PGR P06401 1/20 0.41
▸ ADRA2A P08913 1/20 0.41
▸ ADRA2B P18089 1/20 0.41
▸ HTR2A P28223 1/20 0.41

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
SCHEMBL23091851 0.82 TDP1 (0.50) TDP1L3MBTL1CES1CES2LMNA
SCHEMBL395491 0.80 MDM2 (0.48) TDP1L3MBTL1CES1CES2LMNA
SCHEMBL7342834 0.80 LMNA (0.52) TDP1L3MBTL1CES1CES2LMNA
SCHEMBL741168 0.78 PGR (0.47) TDP1L3MBTL1CES1CES2LMNA
SCHEMBL4941620 0.78 TDP1 (0.47) TDP1L3MBTL1CES1CES2LMNA
SCHEMBL3660532 0.78 LMNA (0.55) TDP1CES1CES2LMNACA2
SCHEMBL10741256 0.78 TDP1 (0.47) TDP1L3MBTL1CES1CES2LMNA
SCHEMBL740918 0.78 TDP1 (0.47) TDP1L3MBTL1CES1CES2LMNA
SCHEMBL6831516 0.78 CA1 (0.50) L3MBTL1CES1CES2LMNACA2
SCHEMBL28472353 0.78 TDP1 (0.47) TDP1L3MBTL1CES1CES2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240213499-A1 PRIMARY ALKALI METAL CELLS WITH GEMINAL DINITRILE ADDITIVES LITRONIK BATTERIETECHNOLOGIE GMBH (DE) 2024-06-27 — — US disclosed
EP-4338216-A1 PRIMARY ALKALI METAL CELLS WITH GEMINAL DINITRILE ADDITIVES LITRONIK Batterietechnologie GmbH (DE) 2024-03-20 — — EP disclosed
CN-117280504-A Alkali metal galvanic cell with geminal dinitrile additive 利特罗尼克电池技术有限公司 2023-12-22 — — CN disclosed
WO-2022238312-A1 PRIMARY ALKALI METAL CELLS WITH GEMINAL DINITRILE ADDITIVES LITRONIK BATTERIETECHNOLOGIE GMBH (DE) 2022-11-17 — — WO disclosed
US-20160168151-A1 PYRAZOLO PYRIMIDINE DERIVATIVES AND METHODS OF USE THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-06-16 — — US disclosed
US-20150031881-A1 PYRAZOLO PYRIMIDINE DERIVATIVES AND METHODS OF USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-01-29 — — US disclosed
US-20120065154-A1 Pyrazolo Pyrimidine Derivatives and Methods of Use Thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-03-15 — — US disclosed
US-20090181988-A1 Pyrazolo Pyrimidine Derivatives and Methods of Use Thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-07-16 — — US disclosed
US-20090012309-A1 CHEMICAL COMPOUNDS ADAMS JERRY LEROY 2009-01-08 — — US disclosed
US-7307097-B2 Chemical compounds SMITHKLINE BEECHMAN CORPORATION (US) 2007-12-11 — — US disclosed
US-20040059122-A1 Cyanothioacetamide derivative and process for producing the same NIPPON SODA CO., LTD. (JP) 2004-03-25 — — US disclosed
US-20030232860-A1 Medicine comprising dicyanopyridine derivative ASTELLAS PHARMA INC. (JP) 2003-12-18 — — US disclosed
EP-1367049-A1 CYANOTHIOACETAMIDE DERIVATIVE AND PROCESS FOR PRODUCING THE SAME NIPPON SODA CO., LTD. (JP) 2003-12-03 — — EP disclosed
EP-1302463-A1 MEDICINE COMPRISING DICYANOPYRIDINE DERIVATIVE YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 2003-04-16 — — EP disclosed
US-6331204-B1 Printing ink composition AVECIA LIMITED (GB) 2001-12-18 — — US disclosed
US-5972544-A PREPARING OPTICAL FILTER COMPRISING COLORED CROSS-LINKED POLYMERIC COATING ON TRANSPARENT SUBSTRATE, WHICH COMPRISES APPLYING TO, BY PRINTING PROCESS, MIXTURE COMPRISING ONE OR MORE POLYMER PRECURSOR(S), AND ONE OR MORE DYE(S) ZENECA LIMITED (GB) 1999-10-26 — — US disclosed
US-5922741-A 5-aminopyrazoles useful as tyrosine kinase inhibitors CELLTECH THERAPEUTICS LTD. (GB) 1999-07-13 — — US disclosed
EP-0764290-B1 PRINTING PROCESS ZENECA LTD (GB) 1998-12-16 — — 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 (7 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-20160168151-A1 PYRAZOLO PYRIMIDINE DERIVATIVES AND METHODS OF USE THEREOF DPYD, DHODH, DLD TDP1 675/4885L3MBTL1 4522/4885CES1 997/4885
US-20090012309-A1 CHEMICAL COMPOUNDS CYP11B2, CYP3A43, CYP3A5 TDP1 1199/4885L3MBTL1 2523/4885CES1 168/4885
US-20040059122-A1 Cyanothioacetamide derivative and process for producing the same NAT1, ACAA2, ACAT2 TDP1 2283/4885L3MBTL1 2166/4885CES1 79/4885
US-20150031881-A1 PYRAZOLO PYRIMIDINE DERIVATIVES AND METHODS OF USE THEREOF DPYD, DHODH, DLD TDP1 675/4885L3MBTL1 4522/4885CES1 997/4885
US-20090181988-A1 Pyrazolo Pyrimidine Derivatives and Methods of Use Thereof DPYD, DHODH, DLD TDP1 675/4885L3MBTL1 4522/4885CES1 997/4885
US-20120065154-A1 Pyrazolo Pyrimidine Derivatives and Methods of Use Thereof DPYD, DHODH, DLD TDP1 675/4885L3MBTL1 4522/4885CES1 997/4885
US-20030232860-A1 Medicine comprising dicyanopyridine derivative KCNN3, KCNN2, KCNN1 TDP1 665/4885L3MBTL1 4085/4885CES1 4491/4885

“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.