SCHEMBL300028

SCHEMBL300028

C#CNC(=O)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.54
HDAC3 O15379 1/20 0.54
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
IDO1 P14902 1/20 0.54
HDAC1 Q13547 1/20 0.54
CA9 Q16790 1/20 0.54
HDAC7 Q8WUI4 1/20 0.54
HDAC2 Q92769 1/20 0.54
HSD17B10 Q99714 1/20 0.54
HDAC8 Q9BY41 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
NCOR2 Q9Y618 1/20 0.54
GAA P10253 1/20 0.50
RAB9A P51151 3/20 0.47
NPC1 O15118 2/20 0.47
CTDSP1 Q9GZU7 1/20 0.47
PTGS2 P35354 1/20 0.47
KMT2A Q03164 4/20 0.45
ALDH1A1 P00352 3/20 0.45

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
Formic Acid SCHEMBL5393357 0.92 HDAC1 (0.47) ALOX15HDAC3CA12CA1IDO1
SCHEMBL7468252 0.80 GFER (0.54) CA12CA1CA9GAAKMT2A
SCHEMBL554489 0.79 ALOX15 (0.56) ALOX15HDAC3CA12CA1IDO1
SCHEMBL4556754 0.78 ALDH1A1 (0.55) ALOX15CA1RAB9APTGS2KMT2A
SCHEMBL7322538 0.77 HDAC3 (0.54) ALOX15HDAC3CA12CA1IDO1
SCHEMBL262369 0.77 ALOX15 (0.54) ALOX15HDAC3CA12CA1IDO1
SCHEMBL11151143 0.77 ALOX15 (0.54) ALOX15HDAC3CA12CA1IDO1
SCHEMBL3247730 0.77 ALOX15 (0.54) ALOX15HDAC3CA12CA1IDO1
SCHEMBL7467601 0.77 HDAC1 (0.62) HDAC3HDAC1HDAC2HDAC6GAA
SCHEMBL17099926 0.76 ALOX15 (0.52) ALOX15HDAC3CA12CA1IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9868820-B2 Polyarylene materials ROHM AND HAAS ELECTRONIC MATERIALS LLC (US) 2018-01-16 US claimed
EP-1696912-B1 PYRAZOLOPYRIDINES AND ANALOGS THEREOF 3M INNOVATIVE PROPERTIES CO (US) 2016-05-11 EP claimed
US-20160060393-A1 POLYARYLENE MATERIALS U.S. BANK TRUST COMPANY, NATIONAL ASSOCIATION, AS NOTES COLLATERAL AGENT 2016-03-03 US claimed
EP-2990430-A1 POLYARYLENE MATERIALS Rohm and Haas Electronic Materials LLC (US) 2016-03-02 EP claimed
EP-2099755-A2 ACETYLENE DERIVATIVES AS STEAROYL COA DESATURASE INHIBITORS Glenmark Pharmaceuticals S.A. (CH) 2009-09-16 EP claimed
EP-1313713-B1 4-PYRIMIDINAMINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND RELATED METHODS ORTHO MCNEIL PHARM INC (US) 2008-06-11 EP claimed
WO-2008062276-A2 ACETYLENE DERIVATIVES AS STEAROYL COA DESATURASE INHIBITORS GLENMARK PHARMACEUTICALS S.A. (US) 2008-05-29 WO claimed
EP-1140895-B1 THIOPYRAN COMPOUNDS AS INHIBITORS OF MMP FUJISAWA PHARMACEUTICAL CO (JP) 2004-03-24 EP claimed
EP-1060178-B1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF ROTAMASE ENZYMES PFIZER (US) 2003-09-03 EP claimed
EP-0922050-B1 3-DESCLADINOSE-2,3-ANHYDROERYTHROMYCIN DERIVATIVES ABBOTT LAB (US) 2003-07-30 EP claimed
EP-0671388-B1 (Pyrrolidinyl)phenyl carbamates and intermediate compounds, processes for their preparation and their use as medicaments HOECHST MARION ROUSSEL INC (US) 1998-06-10 EP claimed
EP-0438230-B1 Indole-substituted five-membered heteroaromatic compounds MERCK SHARP & DOHME (GB) 1997-04-23 EP claimed
EP-0204571-B1 SELECTED DIFLUORO DERIVATIVES ICI AMERICAS INC. (US) 1992-01-22 EP claimed
EP-0060094-B1 GUANIDINE DERIVATIVES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1986-01-22 EP claimed
JP-6157441-A None JP disclosed
US-12379660-B2 Adhesion promoting photoresist underlayer composition DUPONT ELECTRONIC MATERIALS INTERNATIONAL, LLC (US) 2025-08-05 US disclosed
CN-117510504-A Protein kinase degradation agent, medicine and application 深圳市新樾生物科技有限公司 2024-02-06 CN disclosed
WO-2010128163-A2 SMALL MOLECULE INHIBITORS OF INFLUENZA A AND B VIRUS AND RESPIRATORY SYNCYTIAL VIRUS REPLICATION PIKE PHARMA GMBH (CH) 2010-11-11 WO disclosed
US-20080227797-A1 Pyridopyrimidine Derivatives as Pde4 Inhibitors for the Treatment of Inflammatory and Immune Diseases ASTRAZENECA AB (SE) 2008-09-18 US disclosed
JP-H06157441-A PHOTOPOLYMERIZABLE DIACETYLENE COMPOUND SEKISUI CHEM CO LTD 1994-06-03 JP 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-20080227797-A1 Pyridopyrimidine Derivatives as Pde4 Inhibitors for the Treatment of Inflammatory and Immune Diseases PDE4A, PDE4B, PDE5A ALOX15 1639/4885HDAC3 2589/4885CA12 4537/4885

“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.