SCHEMBL6805983

SCHEMBL6805983

COc1ccc2c(OCc3ccccc3)cc(Cl)nc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.50
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 2/20 0.50
EGFR P00533 2/20 0.48
MAOB P27338 1/20 0.48
TACR3 P29371 3/20 0.47
KIT P10721 1/20 0.47
ERBB2 P04626 1/20 0.46
MAPT P10636 2/20 0.46
TLR8 Q9NR97 1/20 0.46
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.46
HPGD P15428 1/20 0.46
KMT2A Q03164 1/20 0.46
MTNR1A P48039 2/20 0.46
MTNR1B P49286 1/20 0.46
HTT P42858 1/20 0.45
ABCB1 P08183 1/20 0.45
HTR1A P08908 1/20 0.45

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
SCHEMBL26616036 0.91 EGFR (0.53) SMN1; SMN2KDM4EALDH1A1EGFRMAOB
SCHEMBL7805490 0.88 KMT2A (0.53) SMN1; SMN2KDM4EALDH1A1EGFRMAPT
SCHEMBL26731300 0.84 HTT (0.48) SMN1; SMN2KDM4EALDH1A1MAOBMAPT
SCHEMBL26607243 0.83 SMN1; SMN2 (0.51) SMN1; SMN2KDM4EMAPTLMNAHTT
SCHEMBL12737235 0.82 KLK7 (0.46) SMN1; SMN2KDM4EALDH1A1MAPTLMNA
SCHEMBL26731827 0.82 HTT (0.44) SMN1; SMN2MAPTMEN1LMNAKMT2A
SCHEMBL15578467 0.80 ALDH1A1 (0.59) SMN1; SMN2KDM4EALDH1A1MAPTMEN1
SCHEMBL4725521 0.80 MAOB (0.48) SMN1; SMN2KDM4EALDH1A1EGFRMAOB
SCHEMBL995831 0.80 MAPT (0.44) SMN1; SMN2KDM4EALDH1A1MAOBMAPT
SCHEMBL26607285 0.79 PDGFRB (0.43) SMN1; SMN2KDM4EALDH1A1MAOBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1618789-A Macrocyclic peptides active against the hepatitis C virus BOEHRINGER INGELHEIM CA LTD (CA) 2005-05-25 CN disclosed
CN-1177861-C Macrocyclic Peptides Effective Against Hepatitis C Virus ���ָ����Ӣ��ķ���ô����޹�˾ 2004-12-01 CN disclosed
EP-1169339-B1 MACROCYCLIC PEPTIDES INHIBITING THE HEPATITIS C VIRUS NS3 PROTEASE BOEHRINGER INGELHEIM CA LTD (CA) 2004-09-29 EP disclosed
EP-1437362-A1 Macrocyclic peptides inhibiting the hepatitis C virus ns3 protease BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2004-07-14 EP disclosed
US-20040002448-A1 Macrocyclic peptides active against the hepatitis C virus BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2004-01-01 US disclosed
US-6608027-B1 Macrocyclic small peptides of low molecular weight that are inhibitory to NS3 protease of hepatitis C virus BOEHRINGER INGELHEIM (CANADA) LTD (CA) 2003-08-19 US disclosed
CN-1346365-A Macrocyclic Peptides Effective Against Hepatitis C Virus BOEHRINGER INGELHEIM CA LTD (CA) 2002-04-24 CN disclosed
EP-1169339-A1 MACROCYCLIC PEPTIDES INHIBITING THE HEPATITIS C VIRUS NS3 PROTEASE BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2002-01-09 EP disclosed
WO-2000059929-A1 MACROCYCLIC PEPTIDES ACTIVE AGAINST THE HEPATITIS C VIRUS BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2000-10-12 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 (1 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-20040002448-A1 Macrocyclic peptides active against the hepatitis C virus VIP, FURIN, RNASE1 SMN1; SMN2 2976/4885KDM4E 3584/4885ALDH1A1 1770/4885

“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.