SCHEMBL9958708

SCHEMBL9958708

O=c1[nH]cc(-c2nc[c]s2)c(=O)[nH]1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
LMNA P02545 3/20 0.37
DPYD Q12882 4/20 0.36
MAPT P10636 2/20 0.36
GAA P10253 1/20 0.36
ATAD2 Q6PL18 1/20 0.36
CYP19A1 P11511 1/20 0.36
TSHR P16473 1/20 0.36
THPO P40225 1/20 0.36
MTOR P42345 1/20 0.36
HTT P42858 1/20 0.36
HBB P68871 1/20 0.36
PMP22 Q01453 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NT5E P21589 1/20 0.30
KDM4C Q9H3R0 1/20 0.30

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
SCHEMBL3219893 0.71 ALDH1A1 (0.43) ALDH1A1LMNADPYDMAPTGAA
SCHEMBL5801644 0.71 ALDH1A1 (0.64) ALDH1A1LMNADPYDMAPTGAA
Hydrochloric Acid SCHEMBL2745314 0.70 ALDH1A1 (0.42) ALDH1A1LMNADPYDMAPTGAA
SCHEMBL6881902 0.69 ATAD2 (0.43) ALDH1A1LMNADPYDMAPTGAA
SCHEMBL2744981 0.67 ATAD2 (0.44) ALDH1A1LMNADPYDMAPTGAA
SCHEMBL2745632 0.67 ATAD2 (0.44) ALDH1A1LMNADPYDMAPTGAA
SCHEMBL2745075 0.66 ATAD2 (0.43) ALDH1A1LMNADPYDMAPTGAA
SCHEMBL6112233 0.64 ALDH1A1 (0.43) ALDH1A1LMNADPYDMAPTGAA
SCHEMBL4628075 0.63 ALDH1A1 (0.46) ALDH1A1LMNADPYDMAPTGAA
SCHEMBL8310303 0.63 KDM4E (0.49) ALDH1A1LMNAMAPTGAATSHR

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 6 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
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 (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-20160002213-A1 HEPATITIS C INHIBITORS AND USES THEREOF HAVCR2, HCCS, SLC10A1 ALDH1A1 1137/4885LMNA 1618/4885DPYD 325/4885
US-20160355530-A1 HEPATITIS C INHIBITORS AND USES THEREOF HAVCR2, HCCS, SLC10A1 ALDH1A1 1137/4885LMNA 1618/4885DPYD 325/4885

“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.