SCHEMBL7600946

SCHEMBL7600946

Cc1ccc2oc(C)nc(=O)c2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.54
MAPT P10636 6/20 0.46
HTT P42858 1/20 0.46
ALDH1A1 P00352 7/20 0.46
KDM4E B2RXH2 7/20 0.45
HPGD P15428 3/20 0.45
HSD17B10 Q99714 3/20 0.45
CYP3A4 P08684 3/20 0.45
TP53 P04637 2/20 0.45
NQO1 P15559 1/20 0.45
SMN1; SMN2 Q16637 6/20 0.44
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
PKM P14618 1/20 0.44
MAPK1 P28482 2/20 0.44
ALPG P10696 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CSNK2A2 P19784 1/20 0.43
CSNK2B P67870 1/20 0.43
CSNK2A1 P68400 1/20 0.43

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
SCHEMBL7600135 0.85 ELANE (0.50) ELANEMAPTALDH1A1KDM4EHPGD
SCHEMBL11221506 0.81 KDM4E (0.38) ELANEALDH1A1KDM4ECYP3A4NQO1
SCHEMBL11121163 0.80 ALDH2 (0.42) ELANEALDH1A1KDM4EHPGDHSD17B10
SCHEMBL3533214 0.77 KDM4E (0.57) ELANEMAPTALDH1A1KDM4EHPGD
SCHEMBL6763157 0.75 CSNK2A2 (0.50) MAPTALDH1A1KDM4EHPGDHSD17B10
SCHEMBL19708685 0.74 ALDH1A1 (0.48) ELANEMAPTHTTALDH1A1KDM4E
SCHEMBL1611070 0.74 ALPG (0.59) MAPTHTTALDH1A1KDM4EHPGD
SCHEMBL7329165 0.74 PRKDC (0.67) HSD17B10
SCHEMBL4987764 0.73 KMT2A (0.38) ELANEHTTALDH1A1KDM4ESMN1; SMN2
SCHEMBL1610145 0.73 MAPT (0.50) MAPTHTTALDH1A1KDM4EHPGD

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-8921369-B2 Inhibitors of HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2014-12-30 US disclosed
US-8877707-B2 Inhibitors of HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2014-11-04 US disclosed
US-20130203656-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2013-08-08 US disclosed
US-20130096101-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2013-04-18 US disclosed
US-20120122864-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2012-05-17 US disclosed
WO-2011149856-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2011-12-01 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-20130096101-A1 INHIBITORS OF HCV NS5A HAVCR2, MAVS, EIF2AK2 ELANE 2358/4885MAPT 3230/4885HTT 3674/4885
US-20120122864-A1 INHIBITORS OF HCV NS5A HAVCR2, MAVS, EIF2AK2 ELANE 2246/4885MAPT 3250/4885HTT 3798/4885
US-20130203656-A1 INHIBITORS OF HCV NS5A HAVCR2, MAVS, EIF2AK2 ELANE 2246/4885MAPT 3250/4885HTT 3798/4885

“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.