SCHEMBL10034784

SCHEMBL10034784

COCCOc1cc(C(=O)CN)ccc1-c1ccc(C(=O)CN)cc1OCCOC

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.41
KMT2A Q03164 2/20 0.41
HTT P42858 2/20 0.41
PDE4B Q07343 3/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
CHEK2 O96017 1/20 0.38
TP53 P04637 1/20 0.38
MEN1 O00255 1/20 0.38
SMPD1 P17405 3/20 0.37
EGFR P00533 1/20 0.37
THRA P10827 1/20 0.37
THRB P10828 1/20 0.37

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
SCHEMBL6096683 0.87 PRSS1 (0.52) KDM4EKMT2AHPGDMEN1THRA
SCHEMBL10034785 0.85 GSK3B (0.46) KDM4EKMT2AHTTPDE4BALDH1A1
SCHEMBL881510 0.83 MAPT (0.49) KDM4EKMT2AHTTALDH1A1HPGD
SCHEMBL10034776 0.83 KMT2A (0.47) KDM4EKMT2AHTTALDH1A1HPGD
SCHEMBL881352 0.83 ALDH1A1 (0.52) KDM4EHTTALDH1A1EGFR
SCHEMBL881348 0.78 PRSS1 (0.42) KDM4EKMT2AHTTCHEK2TP53
SCHEMBL1260548 0.74 TSHR (0.63) KMT2APDE4BALDH1A1MEN1
SCHEMBL28081727 0.74 EGFR (0.64) KDM4EKMT2APDE4BALDH1A1MEN1
Hydrochloric Acid SCHEMBL29112504 0.72 TSHR (0.61) KMT2APDE4BALDH1A1MEN1
Hydrochloric Acid SCHEMBL4512041 0.72 TSHR (0.61) KMT2APDE4BALDH1A1MEN1

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-8822520-B2 Substituted bicyclic HCV inhibitors PRESIDIO PHARMACEUTICALS, INC. (US) 2014-09-02 US disclosed
US-8822520-B2 Substituted bicyclic HCV inhibitors PRESIDIO PHARMACEUTICALS, INC. (US) 2014-09-02 US disclosed
US-20130178507-A1 SUBSTITUTED BICYCLIC HCV INHIBITORS PRESIDIO PHARMACEUTICALS, INC. (US) 2013-07-11 US disclosed
US-20130178507-A1 SUBSTITUTED BICYCLIC HCV INHIBITORS PRESIDIO PHARMACEUTICALS, INC. (US) 2013-07-11 US disclosed
WO-2012040389-A2 SUBSTITUTED BICYCLIC HCV INHIBITORS PRESIDIO PHARMACEUTICALS, INC. (US) 2012-03-29 WO disclosed
US-20120028978-A1 SUBSTITUTED BICYCLIC HCV INHIBITORS PRESIDIO PHARMACEUTICALS, INC. (US) 2012-02-02 US disclosed
US-20120028978-A1 SUBSTITUTED BICYCLIC HCV INHIBITORS PRESIDIO PHARMACEUTICALS, INC. (US) 2012-02-02 US disclosed
WO-2010111673-A1 SUBSTITUTED BICYCLIC HCV INHIBITORS PRESIDIO PHARMACEUTICALS, INC. (US) 2010-09-30 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-20130178507-A1 SUBSTITUTED BICYCLIC HCV INHIBITORS HAVCR2, LIPC, EIF2AK2 KDM4E 3798/4885KMT2A 3912/4885HTT 4166/4885
US-20120028978-A1 SUBSTITUTED BICYCLIC HCV INHIBITORS HAVCR2, LIPC, EIF2AK2 KDM4E 3798/4885KMT2A 3912/4885HTT 4166/4885

“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.