SCHEMBL497808

SCHEMBL497808

CCCN(C(C)=O)C(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.36
CA2 P00918 2/20 0.36
CA9 Q16790 1/20 0.36
CA1 P00915 2/20 0.35
NAMPT P43490 1/20 0.33
EPHX2 P34913 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
FDPS P14324 1/20 0.33
CHRM2 P08172 2/20 0.32
CHRM4 P08173 2/20 0.32
CHRM5 P08912 2/20 0.32
CHRM1 P11229 2/20 0.32
CHRM3 P20309 2/20 0.32
CA14 Q9ULX7 1/20 0.32
ALDH1A1 P00352 4/20 0.31
HPGD P15428 1/20 0.31
TDP1 Q9NUW8 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 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
SCHEMBL7930800 0.87 CHRM1 (0.35) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL498398 0.86 EPHX2 (0.41) CA12CA9CA1EPHX2ALDH1A1
SCHEMBL16297556 0.84 EPHX2 (0.47) CA1EPHX2MAPK1ALDH1A1MEN1
SCHEMBL24370670 0.83 MLYCD (0.36) CA12CA2CA9CA1NAMPT
SCHEMBL8633387 0.83 CA12 (0.34) CA12CA2CA9TSHRMAPK1
SCHEMBL497807 0.83 CA12 (0.34) CA12CA2CA9CA1NAMPT
SCHEMBL12512504 0.82 EPHX2 (0.50) EPHX2MAPK1MEN1KMT2A
SCHEMBL20869951 0.81 CA12 (0.33) CA12CA2CA9CA1TSHR
SCHEMBL497599 0.81 CA12 (0.33) CA12CA2CA9TSHRMAPK1
SCHEMBL14276891 0.80 MAPT (0.39) CHRM2CHRM4CHRM5CHRM1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090182048-A1 Compounds Useful For Treating Neurological Disorders YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2009-07-16 US claimed
US-20080139651-A1 COMPOUNDS USEFUL FOR TREATING NEUROLOGICAL DISORDERS YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2008-06-12 US claimed
US-20060004098-A1 Compounds useful for treating neurological disorders YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2006-01-05 US claimed
EP-1077926-B1 PROPYLISOPROPYL ACETAMIDE STEREOISOMERS, A METHOD FOR THEIR SYNTHESIS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM YISSUM RES DEV CO (IL) 2005-02-23 EP claimed
US-4854973-A SHORT CHAIN CHLORINATED SOLVENTS NCH CORPORATION (US) 1989-08-08 US claimed
US-20230140810-A1 MATERIAL FOR FORMING ADHESIVE FILM, PATTERNING PROCESS, AND METHOD FOR FORMING ADHESIVE FILM SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-05-04 US disclosed
EP-3222324-B1 VALPROATE AS A TOPICAL ANTI-FUNGAL TREATMENT UNIV WAYNE STATE (US) 2020-05-13 EP disclosed
US-10617659-B2 Valproate as a topical anti-fungal treatment WAYNE STATE UNIVERSITY (US) 2020-04-14 US disclosed
US-20190322958-A1 Lubricant Composition BASF SE (DE) 2019-10-24 US disclosed
US-20190022040-A1 VALPROATE AS A TOPICAL ANTI-FUNGAL TREATMENT WAYNE STATE UNIVERSITY (US) 2019-01-24 US disclosed
US-10092531-B2 Valproate as a topical anti-fungal treatment WAYNE STATE UNIVERSITY (US) 2018-10-09 US disclosed
US-20170273924-A1 VALPROATE AS A TOPICAL ANTI-FUNGAL TREATMENT WAYNE STATE UNIVERSITY 2017-09-28 US disclosed
US-20060004098-A1 Compounds useful for treating neurological disorders YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2006-01-05 US disclosed
US-6165944-A 4-(3-heterocyclyl-1-benzoyl) pyrazoles and their use as herbicides BASF AKTIENGESELLSCHAFT (DE) 2000-12-26 US disclosed
EP-0777658-B1 SUBSTITUTED TRIAZOLINONES AS PLANT PROTECTIVE AGENTS BASF AG (DE) 1999-12-15 EP disclosed
EP-0958292-A1 4-(3-HETEROCYCLYL-1-BENZOYL)PYRAZOLES AND THEIR USE AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1999-11-24 EP disclosed
US-5885934-A HERBICIDES OR FOR THE DESICCATION/DEFOLIATION OF PLANTS BASF AKTIENGESELLSCHAFT (DE) 1999-03-23 US disclosed
WO-1998031682-A1 4-(3-HETEROCYCLYL-1-BENZOYL)PYRAZOLES AND THEIR USE AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1998-07-23 WO disclosed
WO-1996005179-A1 SUBSTITUTED TRIAZOLINONES AS PLANT PROTECTIVE AGENTS BASF AKTIENGESELLSCHAFT (DE) 1996-02-22 WO disclosed
US-4854973-A SHORT CHAIN CHLORINATED SOLVENTS NCH CORPORATION (US) 1989-08-08 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 (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-10092531-B2 Valproate as a topical anti-fungal treatment CUTA, HDAC7, HDAC5 CA12 1052/4885CA2 1328/4885CA9 941/4885
US-20060004098-A1 Compounds useful for treating neurological disorders GAP43, CLN6, NLN CA12 3297/4885CA2 2362/4885CA9 3864/4885
US-20090182048-A1 Compounds Useful For Treating Neurological Disorders GAP43, CLN6, NLN CA12 3297/4885CA2 2362/4885CA9 3864/4885
US-20190022040-A1 VALPROATE AS A TOPICAL ANTI-FUNGAL TREATMENT CUTA, HDAC7, HDAC5 CA12 1052/4885CA2 1328/4885CA9 941/4885
US-10617659-B2 Valproate as a topical anti-fungal treatment CUTA, HDAC7, HDAC5 CA12 1052/4885CA2 1328/4885CA9 941/4885
US-20080139651-A1 COMPOUNDS USEFUL FOR TREATING NEUROLOGICAL DISORDERS GAP43, CLN6, NLN CA12 3297/4885CA2 2362/4885CA9 3864/4885
US-20170273924-A1 VALPROATE AS A TOPICAL ANTI-FUNGAL TREATMENT CUTA, HDAC7, HDAC5 CA12 1052/4885CA2 1328/4885CA9 941/4885

“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.