SCHEMBL9953395

SCHEMBL9953395

CC(C)(C)Oc1ncc(-c2nc[c]s2)c(OC(C)(C)C)n1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
HPGD P15428 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
GAA P10253 1/20 0.49
ATM Q13315 1/20 0.47

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
SCHEMBL14586465 0.68 GAA (0.65) MEN1KMT2ANPSR1KDM4EALDH1A1
SCHEMBL3817278 0.68 GAA (0.65) MEN1KMT2ANPSR1KDM4EALDH1A1
SCHEMBL3558034 0.68 NPSR1 (0.49) MEN1KMT2ANPSR1KDM4EALDH1A1
SCHEMBL13049649 0.68 GAA (0.65) MEN1KMT2ANPSR1KDM4EALDH1A1
SCHEMBL561353 0.67 GAA (0.59) MEN1KMT2ANPSR1KDM4EALDH1A1
SCHEMBL12095301 0.67 KDM4E (0.53) MEN1KMT2ANPSR1KDM4EALDH1A1
SCHEMBL18380993 0.66 GAA (0.62) MEN1KMT2ANPSR1KDM4EALDH1A1
SCHEMBL896479 0.66 GAA (1.00) MEN1KMT2ANPSR1KDM4EALDH1A1
SCHEMBL29271046 0.66 GAA (0.62) MEN1KMT2ANPSR1KDM4EALDH1A1
Water SCHEMBL3423431 0.66 GAA (0.57) MEN1KMT2ANPSR1KDM4EALDH1A1

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-9567355-B2 Hepatitis C inhibitors and uses thereof ABBVIE INC. (US) 2017-02-14 US disclosed
US-20160355530-A1 HEPATITIS C INHIBITORS AND USES THEREOF ABBVIE INC. 2016-12-08 US disclosed
US-9453007-B2 Hepatitis C inhibitors and uses thereof ABBVIE INC. (US) 2016-09-27 US disclosed
US-20160002213-A1 HEPATITIS C INHIBITORS AND USES THEREOF ABBVIE INC. 2016-01-07 US disclosed
US-9173887-B2 Hepatitis C inhibitors and uses thereof ABBVIE INC. (US) 2015-11-03 US disclosed
US-20140038919-A1 HEPATITIS C INHIBITORS AND USES THEREOF ABBVIE INC. (US) 2014-02-06 US disclosed
EP-2655362-A1 HEPATITIS C INHIBITORS AND USES THEREOF Abbvie Inc. (US) 2013-10-30 EP disclosed
WO-2012087833-A1 HEPATITIS C INHIBITORS AND USES THEREOF ABBOTT LABORATORIES (US) 2012-06-28 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 (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-20160002213-A1 HEPATITIS C INHIBITORS AND USES THEREOF HAVCR2, HCCS, SLC10A1 MEN1 4246/4885KMT2A 4446/4885NPSR1 4386/4885
US-20140038919-A1 HEPATITIS C INHIBITORS AND USES THEREOF HAVCR2, HCCS, SLC10A1 MEN1 4246/4885KMT2A 4446/4885NPSR1 4386/4885
US-20160355530-A1 HEPATITIS C INHIBITORS AND USES THEREOF HAVCR2, HCCS, SLC10A1 MEN1 4246/4885KMT2A 4446/4885NPSR1 4386/4885

“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.