SCHEMBL881598

SCHEMBL881598

O=C(CBr)c1ccc2cc1OCCOCCOCCOCCOCCOc1cc-2ccc1C(=O)CBr

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.40
▸ ALOX5 P09917 1/20 0.39
▸ CD274 Q9NZQ7 1/20 0.39
▸ GSK3B P49841 1/20 0.39
▸ SMN1; SMN2 Q16637 4/20 0.38
▸ GAA P10253 1/20 0.38
▸ MAPT P10636 4/20 0.38
▸ LMNA P02545 3/20 0.38
▸ HTT P42858 3/20 0.38
▸ BLM P54132 1/20 0.38
▸ CSNK2A1 P68400 2/20 0.37
▸ CSNK2A2 P19784 1/20 0.37
▸ NPSR1 Q6W5P4 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ TP53 P04637 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ ATM Q13315 1/20 0.36

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
SCHEMBL881622 0.86 KDM4E (0.41) KDM4EGSK3BSMN1; SMN2MAPTHTT
SCHEMBL10034802 0.79 KDM4E (0.54) KDM4EALOX5SMN1; SMN2GAAMAPT
SCHEMBL881345 0.72 KDM4E (0.50) KDM4EGSK3BSMN1; SMN2MAPTHTT
SCHEMBL1481530 0.70 PTPN1 (0.41) KDM4EGSK3BSMN1; SMN2GAALMNA
SCHEMBL23112345 0.69 CTNNB1 (0.42) KDM4EHTTALDH1A1HPGDHSD17B10
SCHEMBL639330 0.68 CTNNB1 (0.59) KDM4EMAPT
SCHEMBL627847 0.67 ATM (0.70) KDM4ESMN1; SMN2MAPTLMNAALDH1A1
SCHEMBL10067201 0.67 ALOX5 (0.37) KDM4EALOX5SMN1; SMN2GAAMAPT
SCHEMBL881625 0.66 KDM4E (0.61) KDM4ESMN1; SMN2GAAMAPTLMNA
SCHEMBL12565682 0.66 GSK3B (0.45) KDM4EGSK3BLMNAALDH1A1HSD17B10

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 3798/4885ALOX5 4104/4885CD274 3328/4885
US-20120028978-A1 SUBSTITUTED BICYCLIC HCV INHIBITORS HAVCR2, LIPC, EIF2AK2 KDM4E 3798/4885ALOX5 4104/4885CD274 3328/4885

“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.

Send feedback