SCHEMBL4603153

SCHEMBL4603153

O=C(CS)N1CCCCC1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.54
GAA P10253 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
ALDH1A1 P00352 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
HPGD P15428 2/20 0.42
HTT P42858 2/20 0.42
NPC1 O15118 1/20 0.42
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP3 P08254 1/20 0.41
MMP9 P14780 1/20 0.41
BPTF Q12830 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL8133040 0.97
SCHEMBL4741470 0.92
SCHEMBL11559490 0.86 ALDH1A1 (0.48) ATMGAAL3MBTL1MEN1KMT2A
SCHEMBL8285857 0.80 ATM (0.62) ATMGAAL3MBTL1MEN1KMT2A
SCHEMBL14349488 0.78 ATM (0.59) ATMGAAL3MBTL1MEN1KMT2A
SCHEMBL4602646 0.77 ATM (0.65) ATMGAAL3MBTL1MEN1KMT2A
SCHEMBL18928680 0.77 ATM (0.71) ATMGAAL3MBTL1MEN1KMT2A
SCHEMBL429744 0.76 ATM (0.56) ATMGAAL3MBTL1MEN1KMT2A
SCHEMBL9040661 0.76 ATM (0.56) ATMGAAL3MBTL1MEN1KMT2A
SCHEMBL429743 0.76 ATM (0.56) ATMGAAL3MBTL1MEN1KMT2A

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-11229624-B2 FABP4 as a therapeutic target in skin diseases TICURE LTD. (IL) 2022-01-25 US disclosed
US-20200138779-A1 FABP4 AS A THERAPEUTIC TARGET IN SKIN DISEASES TICURE LTD. (IL) 2020-05-07 US disclosed
US-20190144464-A1 BIGUANIDE COMPOUNDS AND USE THEREOF HANALL BIOPHARMA CO., LTD. (KR) 2019-05-16 US disclosed
US-10221190-B2 Biguanide compounds and use thereof IMMUNOMET THERAPEUTICS INC. (US) 2019-03-05 US disclosed
US-9549938-B2 Boron-containing small molecules ANACOR PHARMACEUTICALS, INC. (US) 2017-01-24 US disclosed
EP-2254880-B1 Macrocyclic prodrug compounds useful as therapeutics NEXGENIX PHARMACEUTICALS (US) 2016-08-17 EP disclosed
US-20150126518-A1 BIGUANIDE COMPOUNDS AND USE THEREOF HANALL BIOPHARMA CO., LTD. (KR) 2015-05-07 US disclosed
WO-2009105755-A2 MACROCYCLIC PRODRUG COMPOUNDS USEFUL AS THERAPEUTICS NEXGENIX PHARMACEUTICALS (US) 2009-08-27 WO disclosed
EP-1694748-B1 METHOD OF MODIFYING A FLUOROPOLYMERIC SUBSTRATE AND COMPOSITE ARTICLES THEREBY 3M INNOVATIVE PROPERTIES CO (US) 2008-04-23 EP disclosed
US-20080090891-A1 ION CHANNEL MODULATORS WYETH (US) 2008-04-17 US disclosed
US-20080090891-A1 ION CHANNEL MODULATORS WYETH (US) 2008-04-17 US disclosed
US-20070281937-A1 Ion Channel Modulators SCION PHARMACEUTICALS, INC. 2007-12-06 US disclosed
US-7273531-B2 Method of modifying a fluoropolymeric substrate and composite articles thereby 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-09-25 US disclosed
EP-1694748-A1 METHOD OF MODIFYING A FLUOROPOLYMERIC SUBSTRATE AND COMPOSITE ARTICLES THEREBY 3M Innovative Properties Company (US) 2006-08-30 EP disclosed
WO-2005047373-A1 METHOD OF MODIFYING A FLUOROPOLYMERIC SUBSTRATE AND COMPOSITE ARTICLES THEREBY 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-05-26 WO disclosed
US-20050092429-A1 Method of modifying a fluoropolymeric substrate and composite articles thereby 3M INNOVATIVE PROPERTIES COMPANY 2005-05-05 US disclosed
US-6153178-A A KERATIN-REDUCING AGENT CONTAINING A MERCAPTO ACETAMIDE WITH CYCLIC AMINE GROUP FOR HAIR STYLING WELLA AKTIENGESELLSCHAFT (DE) 2000-11-28 US disclosed
US-3976769-A INSECTICIDE AIRWICK INDUSTRIES, INC. (US) 1976-08-24 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-20070281937-A1 Ion Channel Modulators CACNA1B, CACNA1C, TRPV1 ATM 4312/4885GAA 1560/4885L3MBTL1 3558/4885
US-20190144464-A1 BIGUANIDE COMPOUNDS AND USE THEREOF GCKR, GCG, SLC5A2 ATM 1178/4885GAA 95/4885L3MBTL1 3921/4885
US-11229624-B2 FABP4 as a therapeutic target in skin diseases FABP4, FABP2, FABP1 ATM 3596/4885GAA 1820/4885L3MBTL1 2540/4885
US-20200138779-A1 FABP4 AS A THERAPEUTIC TARGET IN SKIN DISEASES FABP4, FABP2, FABP1 ATM 3596/4885GAA 1820/4885L3MBTL1 2540/4885
US-20150126518-A1 BIGUANIDE COMPOUNDS AND USE THEREOF GCKR, GCG, SLC5A2 ATM 1178/4885GAA 95/4885L3MBTL1 3921/4885
US-10221190-B2 Biguanide compounds and use thereof GCKR, GCG, SLC5A2 ATM 1178/4885GAA 95/4885L3MBTL1 3921/4885
US-20080090891-A1 ION CHANNEL MODULATORS CACNA1B, CACNA1C, TRPV1 ATM 4312/4885GAA 1560/4885L3MBTL1 3558/4885

“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.