SCHEMBL10137052

SCHEMBL10137052

COC(=O)/C=C(\C)Nc1ccccc1OC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
LMNA P02545 1/20 0.55
MAPT P10636 4/20 0.54
HTT P42858 3/20 0.54
ALDH1A1 P00352 2/20 0.54
GAA P10253 1/20 0.54
POLB P06746 2/20 0.52
CASP6 P55212 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
EGFR P00533 1/20 0.52
MMP1 P03956 1/20 0.52
MMP2 P08253 1/20 0.52
MMP9 P14780 1/20 0.52
NPC1 O15118 2/20 0.52
MAPK1 P28482 2/20 0.52
RAB9A P51151 2/20 0.52
MEN1 O00255 2/20 0.51
PABPC1 P11940 1/20 0.51
APOBEC3A P31941 1/20 0.51

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
SCHEMBL10136799 0.86 P2RX7 (0.47) KMT2ASMN1; SMN2LMNAMAPTHTT
SCHEMBL13846411 0.83 MAPT (0.74) KMT2ASMN1; SMN2LMNAMAPTHTT
SCHEMBL9836488 0.82 HPGD (0.58) KMT2ASMN1; SMN2LMNAMAPTHTT
SCHEMBL9836482 0.82 HPGD (0.58) KMT2ASMN1; SMN2LMNAMAPTHTT
SCHEMBL29660685 0.82 MAPT (0.50) KMT2ASMN1; SMN2MAPTHTTALDH1A1
SCHEMBL29660728 0.82 MAPT (0.53) KMT2ASMN1; SMN2MAPTHTTALDH1A1
SCHEMBL8300975 0.81 SMN1; SMN2 (0.52) KMT2ASMN1; SMN2LMNAMAPTHTT
SCHEMBL29660886 0.81 KDM4E (0.48) KMT2ASMN1; SMN2LMNAMAPTHTT
SCHEMBL9359450 0.80 ALDH1A1 (0.52) KMT2ASMN1; SMN2LMNAMAPTHTT
SCHEMBL28918759 0.80 SMN1; SMN2 (0.57) KMT2ASMN1; SMN2MAPTHTTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120269769-A1 Hepatitis C Inhibitor Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-25 US disclosed
US-20120034187-A1 Hepatitis C Inhibitor Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-09 US disclosed
US-8067438-B2 Hepatitis C inhibitor compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-29 US disclosed
US-20110177030-A1 Hepatitis C Inhibitor Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-07-21 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 (3 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-20120269769-A1 Hepatitis C Inhibitor Compounds HAVCR2, CTRL, CTRC KMT2A 4209/4885SMN1; SMN2 4624/4885LMNA 816/4885
US-20120034187-A1 Hepatitis C Inhibitor Compounds HAVCR2, CTRL, CTRC KMT2A 4209/4885SMN1; SMN2 4624/4885LMNA 816/4885
US-20110177030-A1 Hepatitis C Inhibitor Compounds HAVCR2, CTRL, CTRC KMT2A 4209/4885SMN1; SMN2 4624/4885LMNA 816/4885

“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.