SCHEMBL10054191

SCHEMBL10054191

COc1ccc(CNC(=O)C(C)Oc2ccccc2)cc1OC

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.67
KDM4E B2RXH2 2/20 0.59
RECQL P46063 1/20 0.59
ALDH1A1 P00352 3/20 0.58
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
SMN1; SMN2 Q16637 2/20 0.56
TSHR P16473 2/20 0.56
GAA P10253 2/20 0.56
CYP3A4 P08684 1/20 0.56
ALOX15 P16050 1/20 0.56
RAB9A P51151 1/20 0.56
MAPK1 P28482 1/20 0.55
ATM Q13315 1/20 0.53
HTT P42858 1/20 0.53
CTSD P07339 2/20 0.53

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
SCHEMBL10054186 0.84 GAA (0.58) POLBALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL6093048 0.82 ERCC1 (0.66) POLBKDM4EALDH1A1MEN1KMT2A
SCHEMBL10053738 0.81 POLB (1.00) POLBALDH1A1MEN1KMT2ATSHR
SCHEMBL5018017 0.80 ALDH1A1 (0.66) POLBKDM4EALDH1A1MEN1KMT2A
SCHEMBL10053820 0.80 RECQL (0.62) POLBKDM4ERECQLALDH1A1MEN1
SCHEMBL14644169 0.80 ALDH1A1 (0.70) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL2610079 0.79 EPHX2 (0.60) POLBKDM4ERECQLALDH1A1SMN1; SMN2
SCHEMBL9028853 0.79 ALDH1A1 (0.68) POLBKDM4EALDH1A1MEN1KMT2A
SCHEMBL14644110 0.78 LMNA (0.55) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL10053699 0.77 HEXD (0.66) POLBKDM4ERECQLALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8906945-B2 Inhibitors of bacterial type III secretion system MICROBIOTIX, INC. (US) 2014-12-09 US disclosed
US-20120114633-A1 Inhibitors Of Bacterial Type III Secretion System NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-05-10 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 (1 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-20120114633-A1 Inhibitors Of Bacterial Type III Secretion System CLPP, TFPI, SI POLB 2380/4885KDM4E 4731/4885RECQL 697/4885

“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.