SCHEMBL2686124

SCHEMBL2686124

COc1ccc(C(=O)Nc2nc3ccc(C)cc3s2)cc1OC

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.75
HTT P42858 1/20 0.75
L3MBTL1 Q9Y468 1/20 0.75
ALDH1A1 P00352 7/20 0.73
RXFP1 Q9HBX9 3/20 0.73
SMN1; SMN2 Q16637 7/20 0.70
HPGD P15428 3/20 0.70
POLB P06746 2/20 0.70
KMT2A Q03164 2/20 0.70
LMNA P02545 2/20 0.70
THRB P10828 1/20 0.70
NPSR1 Q6W5P4 1/20 0.70
MAP3K5 Q99683 1/20 0.66
RAB9A P51151 6/20 0.65
NPC1 O15118 5/20 0.65
MAPT P10636 4/20 0.65
KLK7 P49862 1/20 0.65
TDP1 Q9NUW8 1/20 0.65
SCD O00767 3/20 0.64
MEN1 O00255 1/20 0.62

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
SCHEMBL24729350 0.88 KDM4E (0.75) KDM4EHTTL3MBTL1ALDH1A1RXFP1
SCHEMBL29947616 0.88 KDM4E (0.75) KDM4EHTTL3MBTL1ALDH1A1RXFP1
SCHEMBL4255595 0.87 KDM4E (0.73) KDM4EHTTL3MBTL1ALDH1A1RXFP1
SCHEMBL18250799 0.87 KDM4E (0.73) KDM4EHTTL3MBTL1ALDH1A1RXFP1
SCHEMBL15063066 0.87 KDM4E (0.73) KDM4EHTTL3MBTL1ALDH1A1RXFP1
SCHEMBL2483241 0.86 SCD (0.84) KDM4EALDH1A1RXFP1SMN1; SMN2HPGD
SCHEMBL13329390 0.85 MAP3K5 (0.83) KDM4EHTTL3MBTL1ALDH1A1RXFP1
SCHEMBL21376599 0.84 SCD (0.64) KDM4EHTTL3MBTL1ALDH1A1RXFP1
SCHEMBL15063079 0.84 MAPT (0.73) KDM4EHTTL3MBTL1ALDH1A1RXFP1
SCHEMBL4917462 0.83 MEN1 (0.73) KDM4EHTTL3MBTL1ALDH1A1RXFP1

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
EP-2966166-B1 PROMOTER OF DIFFERENTIATION OF PLURIPOTENT STEM CELL INTO MYOCARDIUM, WHICH COMPRISES EGF RECEPTOR INHIBITOR UNIV KYOTO (JP) 2019-04-03 EP disclosed
US-9999617-B2 Compositions for treating bacterial infections TRUSTEES OF DARTMOUTH COLLEGE (US) 2018-06-19 US disclosed
US-9999617-B2 Compositions for treating bacterial infections TRUSTEES OF DARTMOUTH COLLEGE (US) 2018-06-19 US disclosed
US-20130295017-A1 METHODS FOR SCREENING ANTIBIOTIC COMPOUNDS TRUSTEES OF DARTMOUTH COLLEGE (US) 2013-11-07 US disclosed
US-20120122877-A1 Compositions for Treating Bacterial Infections TRUSTEES OF DARTMOUTH COLLEGE (US) 2012-05-17 US disclosed
US-20120122877-A1 Compositions for Treating Bacterial Infections TRUSTEES OF DARTMOUTH COLLEGE (US) 2012-05-17 US disclosed
US-20120115157-A1 Methods for Screening for Antibiotic Compounds TRUSTEES OF DARTMOUTH COLLEGE (US) 2012-05-10 US disclosed
WO-2011002951-A1 COMPOSITIONS FOR TREATING BACTERIAL INFECTIONS TRUSTEES OF DARTMOUTH COLLEGE (US) 2011-01-06 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 (2 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-20120115157-A1 Methods for Screening for Antibiotic Compounds ANTXR2, CLPP, MRPL21 KDM4E 3933/4885HTT 2334/4885L3MBTL1 2452/4885
US-20120122877-A1 Compositions for Treating Bacterial Infections CLPP, IMMT, MRPL21 KDM4E 3168/4885HTT 4320/4885L3MBTL1 1652/4885

“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.