SCHEMBL1496441

SCHEMBL1496441

COc1ccc2c(O)nc(-c3nc(C(C)C)cs3)nc2c1C

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.33
KDM4E B2RXH2 4/20 0.33
MEN1 O00255 2/20 0.33
MAPT P10636 2/20 0.33
KMT2A Q03164 2/20 0.33
GAA P10253 2/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
POLB P06746 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PLAU P00749 1/20 0.32
CTSS P25774 1/20 0.32
MAPK1 P28482 1/20 0.32
HPGD P15428 1/20 0.32
APLNR P35414 4/20 0.32
CYP1A1 P04798 2/20 0.31
CYP1B1 Q16678 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2E1 P05181 1/20 0.31
CYP3A4 P08684 1/20 0.31

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
SCHEMBL882975 0.88 ALDH1A1 (0.33) ALDH1A1KDM4ETDP1PLAUCTSS
SCHEMBL313190 0.87 APLNR (0.33) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL8004421 0.87 ADORA2A (0.39) ALDH1A1KDM4EMAPTTDP1PLAU
SCHEMBL1496428 0.87 APLNR (0.35) ALDH1A1KDM4EMAPTRAB9ASMN1; SMN2
SCHEMBL15216093 0.87 ALDH1A1 (0.32) ALDH1A1KDM4ETDP1CTSSAPLNR
SCHEMBL3478864 0.85 ALDH1A1 (0.34) ALDH1A1KDM4EMAPTGAASMN1; SMN2
SCHEMBL3429563 0.85 KDM4E (0.31) ALDH1A1KDM4ETDP1CTSSAPLNR
SCHEMBL3429859 0.85 MAPT (0.35) ALDH1A1KDM4EMAPTTDP1PLAU
SCHEMBL313693 0.81 CTSS (0.38) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL577800 0.80 PDE4B (0.36) ALDH1A1KDM4EMEN1MAPTKMT2A

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2483290-A1 CYCLIC PEPTIDE INHIBITORS OF HEPATITIS C VIRUS REPLICATION Intermune, Inc. (US) 2012-08-08 EP disclosed
US-20120095211-A1 SUBSTITUTED PROLINE INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2012-04-19 US disclosed
US-20110081315-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2011-04-07 US disclosed
US-20110081315-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2011-04-07 US disclosed
US-20110081315-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2011-04-07 US disclosed
WO-2011038293-A1 CYCLIC PEPTIDE INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2011-03-31 WO disclosed
WO-2011038293-A1 CYCLIC PEPTIDE INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2011-03-31 WO disclosed
US-7659245-B2 Macrocylic inhibitors of hepatitis C virus TIBOTEC PHARMACEUTICALS LTD (IE) 2010-02-09 US disclosed
US-7659245-B2 Macrocylic inhibitors of hepatitis C virus TIBOTEC PHARMACEUTICALS LTD (IE) 2010-02-09 US disclosed
US-7659245-B2 Macrocylic inhibitors of hepatitis C virus TIBOTEC PHARMACEUTICALS LTD (IE) 2010-02-09 US disclosed
EP-1912981-B1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS TIBOTEC PHARM LTD (IE) 2010-01-20 EP disclosed
US-20090118312-A1 Macrocylic Inhibitors of Hepatitis C Virus JANSSEN SCIENCES IRELAND UC (IE) 2009-05-07 US disclosed
US-20090118312-A1 Macrocylic Inhibitors of Hepatitis C Virus JANSSEN SCIENCES IRELAND UC (IE) 2009-05-07 US disclosed
US-20090118312-A1 Macrocylic Inhibitors of Hepatitis C Virus JANSSEN SCIENCES IRELAND UC (IE) 2009-05-07 US disclosed
WO-2007014927-A2 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS TIBOTEC PHARMACEUTICALS LTD. (IE) 2007-02-08 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-20120095211-A1 SUBSTITUTED PROLINE INHIBITORS OF HEPATITIS C VIRUS REPLICATION VIP, EIF2AK2, PREP ALDH1A1 1706/4885KDM4E 695/4885MEN1 4795/4885
US-20090118312-A1 Macrocylic Inhibitors of Hepatitis C Virus CBR1, HAVCR2, AOC1 ALDH1A1 380/4885KDM4E 4584/4885MEN1 3635/4885
US-20110081315-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION EIF2AK2, HAVCR2, EIF4A2 ALDH1A1 1769/4885KDM4E 457/4885MEN1 4287/4885

“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.