SCHEMBL974384

SCHEMBL974384

[c]1[nH]ccc1-c1cccs1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.38
HPGD P15428 3/20 0.38
ALDH1A1 P00352 3/20 0.38
MEN1 O00255 2/20 0.38
MAPT P10636 2/20 0.38
KMT2A Q03164 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
POLB P06746 1/20 0.37
NISCH Q9Y2I1 1/20 0.35
DPP4 P27487 1/20 0.35
CYP3A4 P08684 2/20 0.34
CYP2C9 P11712 2/20 0.34
LTA4H P09960 2/20 0.34
CYP2E1 P05181 1/20 0.34
CYP2A6 P11509 1/20 0.34
CYP2B6 P20813 1/20 0.34
HSD17B10 Q99714 3/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33

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
SCHEMBL16291133 0.68 L3MBTL1 (0.57) KDM4EHPGDALDH1A1MEN1MAPT
SCHEMBL3545 0.68 L3MBTL1 (0.57) KDM4EHPGDALDH1A1MEN1MAPT
Pyrrole SCHEMBL28839158 0.66 DPP4 (0.50) KDM4EHPGDALDH1A1MEN1MAPT
SCHEMBL30398774 0.66 L3MBTL1 (0.55) KDM4EHPGDALDH1A1MEN1MAPT
Fluoride SCHEMBL491501 0.66 L3MBTL1 (0.55) KDM4EHPGDALDH1A1MEN1MAPT
SCHEMBL29776515 0.66 L3MBTL1 (0.55) KDM4EHPGDALDH1A1MEN1MAPT
Benzene SCHEMBL28420098 0.66 L3MBTL1 (0.55) KDM4EHPGDALDH1A1MEN1MAPT
Benzene SCHEMBL29089513 0.66 L3MBTL1 (0.55) KDM4EHPGDALDH1A1MEN1MAPT
Hydrogen Sulfide SCHEMBL22588115 0.66 L3MBTL1 (0.55) KDM4EHPGDALDH1A1MEN1MAPT
Ammonia Solution, Strong SCHEMBL34467257 0.66 L3MBTL1 (0.55) KDM4EHPGDALDH1A1MEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116354862-A Substituted azacyclic compounds and application thereof in medicines 广东东阳光药业有限公司 2023-06-30 CN claimed
US-20210129125-A1 PROCESS FOR OLIGOMERIZATION DOW GLOBAL TECHNOLOGIES LLC (US) 2021-05-06 US claimed
US-7598245-B2 Aminotriazole compounds useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-10-06 US claimed
US-20080096901-A1 Aminotriazole compounds useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED 2008-04-24 US claimed
WO-2008033455-A2 BIPHENYL AND HETEROARYL PHENYL DERIVATIVES AS PROTEIN TYROSINE PHOSPHATASES INHIBITORS THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY, LLC (US) 2008-03-20 WO claimed
WO-2005037797-A1 SUBSTITUTED PYRAZOLE UREA COMPOUNDS FOR THE TREATMENT OF INFLAMMATION PHARMACIA CORPORATION (US) 2005-04-28 WO claimed
US-20050032792-A1 Compounds useful as reversible inhibitors of cysteine proteases BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-02-10 US claimed
US-20030225270-A1 Compounds useful as reversible inhibitors of cysteine proteases BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2003-12-04 US claimed
US-6649642-B2 Useful in the treatment of autoimmune and other cathepsin related diseases. BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2003-11-18 US claimed
JP-2003529546-A 2003-10-07 JP claimed
EP-1218372-A1 NOVEL SPIROHETEROCYCLIC COMPOUNDS USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES Boehringer Ingelheim Pharmaceuticals, Inc. (US) 2002-07-03 EP claimed
US-20020058809-A1 Compounds useful as reversible inhibitors of cysteine proteases EMMANUEL MICHEL JOSE (US) 2002-05-16 US claimed
EP-1204652-A1 NOVEL SUCCINATE DERIVATIVE COMPOUNDS USEFUL AS CYSTEINE PROTEASE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2002-05-15 EP claimed
US-20010041700-A1 Novel succinate derivative compounds useful as cysteine protease inhibitors BEKKALI YOUNES (US) 2001-11-15 US claimed
US-6313117-B1 TREATING AUTOIMMUNE DISORDERS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2001-11-06 US claimed
WO-2001019816-A1 NOVEL SPIROHETEROCYCLIC COMPOUNDS USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2001-03-22 WO claimed
WO-2001009110-A1 NOVEL SUCCINATE DERIVATIVE COMPOUNDS USEFUL AS CYSTEINE PROTEASE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2001-02-08 WO claimed
EP-0612743-B1 Oxazolidinedione derivatives, their production and use in lowering blood sugar and lipid levels TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1997-09-10 EP claimed
EP-0261755-B1 FIVE-MEMBERED HETEROCYCLIC DERIVATIVES OF N'-SUBSTITUTED-N,N'-DIACYLHYDRAZINES ROHM AND HAAS COMPANY (US) 1992-12-16 EP claimed
EP-0261755-A2 Five-membered heterocyclic derivatives of N'-substituted-N,N'-Diacylhydrazines ROHM AND HAAS COMPANY (US) 1988-03-30 EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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-20210129125-A1 PROCESS FOR OLIGOMERIZATION OXER1, NOD1, LIG1 KDM4E 2748/4885HPGD 1214/4885ALDH1A1 4182/4885
US-20020058809-A1 Compounds useful as reversible inhibitors of cysteine proteases CTSS, CTSK, CTSB KDM4E 3983/4885HPGD 1504/4885ALDH1A1 1811/4885
US-20080096901-A1 Aminotriazole compounds useful as inhibitors of protein kinases MAP3K20, MAP3K5, MAP3K1 KDM4E 1081/4885HPGD 3052/4885ALDH1A1 4076/4885
US-20030225270-A1 Compounds useful as reversible inhibitors of cysteine proteases CTSS, CTSK, CTSB KDM4E 3983/4885HPGD 1504/4885ALDH1A1 1811/4885
US-20050032792-A1 Compounds useful as reversible inhibitors of cysteine proteases CTSS, CTSK, CTSB KDM4E 3824/4885HPGD 1371/4885ALDH1A1 1878/4885
US-20010041700-A1 Novel succinate derivative compounds useful as cysteine protease inhibitors SDHA, LONP1, SUCNR1 KDM4E 2752/4885HPGD 301/4885ALDH1A1 586/4885

“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.