SCHEMBL10175968

SCHEMBL10175968

CCn1c(SCC(=O)Nc2ccc(OC)cc2)nc2ccsc2c1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RECQL P46063 1/20 0.75
▸ LMNA P02545 4/20 0.70
▸ SMN1; SMN2 Q16637 1/20 0.68
▸ RXFP1 Q9HBX9 2/20 0.67
▸ MAPT P10636 2/20 0.67
▸ GPR35 Q9HC97 2/20 0.65
▸ ATM Q13315 1/20 0.65
▸ GAA P10253 2/20 0.59
▸ L3MBTL1 Q9Y468 2/20 0.59
▸ ALDH1A1 P00352 2/20 0.58
▸ RAB9A P51151 1/20 0.58
▸ HPGD P15428 1/20 0.58
▸ POLB P06746 2/20 0.58
▸ MEN1 O00255 1/20 0.58
▸ KMT2A Q03164 1/20 0.58
▸ GPR55 Q9Y2T6 1/20 0.58
▸ THRB P10828 1/20 0.57
▸ TSHR P16473 1/20 0.57
▸ UBE2N P61088 1/20 0.57
▸ MAPK1 P28482 1/20 0.56

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
SCHEMBL13532250 0.76 MAPT (0.58) RECQLLMNAMAPTATMGAA
SCHEMBL13467800 0.75 L3MBTL1 (0.80) LMNASMN1; SMN2RXFP1MAPTL3MBTL1
SCHEMBL24209796 0.72 MAPT (0.67) LMNASMN1; SMN2RXFP1MAPTGPR35
SCHEMBL25482008 0.72 L3MBTL1 (0.78) LMNARXFP1MAPTGAAL3MBTL1
SCHEMBL13451645 0.71 L3MBTL1 (0.73) LMNASMN1; SMN2RXFP1MAPTL3MBTL1
SCHEMBL14399027 0.71 RECQL (0.57) RECQLLMNASMN1; SMN2RXFP1MAPT
SCHEMBL25482034 0.71 ALDH1A1 (0.82) LMNARXFP1MAPTGAAALDH1A1
SCHEMBL25482016 0.69 LMNA (0.82) LMNASMN1; SMN2L3MBTL1ALDH1A1HPGD
SCHEMBL13831486 0.69 MAPT (0.73) LMNASMN1; SMN2MAPTGAAALDH1A1
SCHEMBL4210220 0.69 TSHR (0.82) SMN1; SMN2MAPTGAAL3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150099781-A1 Compounds and Methods for Treating Mammalian Gastrointestinal Microbial Infections NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-04-09 — — US disclosed
US-8969342-B2 Compounds and methods for treating mammalian gastrointestinal microbial infections BRANDEIS UNIVERSITY (US) 2015-03-03 — — US disclosed
US-20120264760-A1 Compounds and Methods for Treating Mammalian Gastrointestinal Parasitic Infections UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2012-10-18 — — US disclosed
US-20120264760-A1 Compounds and Methods for Treating Mammalian Gastrointestinal Parasitic Infections UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2012-10-18 — — US disclosed
US-20120101096-A1 Compounds and Methods for Treating Mammalian Gastrointestinal Microbial Infections University of Georgia Foundation, Inc. (US) 2012-04-26 — — US disclosed
US-20100022547-A1 Compounds and Methods for Treating Mammalian Gastrointestinal Parasitic Infections BRANDEIS UNIVERSITY (US) 2010-01-28 — — US disclosed
US-20100022547-A1 Compounds and Methods for Treating Mammalian Gastrointestinal Parasitic Infections BRANDEIS UNIVERSITY (US) 2010-01-28 — — US disclosed
WO-2007143557-A2 COMPOUNDS AND METHODS FOR TREATING MAMMALIAN GASTROINTESTINAL PARASITIC INFECTIONS BRANDEIS UNIVERSITY (US) 2007-12-13 — — WO 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 (4 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-20120101096-A1 Compounds and Methods for Treating Mammalian Gastrointestinal Microbial Infections IMPDH1, IMPDH2, IMPA1 RECQL 1610/4885LMNA 3978/4885SMN1; SMN2 4251/4885
US-20120264760-A1 Compounds and Methods for Treating Mammalian Gastrointestinal Parasitic Infections IMPDH1, IMPDH2, ITPA RECQL 1266/4885LMNA 3931/4885SMN1; SMN2 3305/4885
US-20100022547-A1 Compounds and Methods for Treating Mammalian Gastrointestinal Parasitic Infections IMPDH1, IMPDH2, ITPA RECQL 1266/4885LMNA 3931/4885SMN1; SMN2 3305/4885
US-20150099781-A1 Compounds and Methods for Treating Mammalian Gastrointestinal Microbial Infections IMPDH1, IMPDH2, IMPA1 RECQL 1610/4885LMNA 3978/4885SMN1; SMN2 4251/4885

“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.

Send feedback