SCHEMBL743975

SCHEMBL743975

COc1ccc2c(O)cc(-c3ccccc3)nc2c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.72
SMN1; SMN2 Q16637 4/20 0.72
ALDH1A1 P00352 3/20 0.72
MEN1 O00255 1/20 0.61
KMT2A Q03164 1/20 0.61
TACR3 P29371 8/20 0.60
ACACA Q13085 1/20 0.57
PLA2G2A P14555 1/20 0.56
LMNA P02545 3/20 0.54
HPGD P15428 3/20 0.54
MAPT P10636 2/20 0.54
HTT P42858 1/20 0.54
AURKA O14965 1/20 0.51
AURKB Q96GD4 1/20 0.51
TDO2 P48775 1/20 0.50
SYK P43405 1/20 0.50
CYP3A4 P08684 1/20 0.49
NPC1 O15118 1/20 0.49
NFKB1 P19838 1/20 0.49
RAB9A P51151 1/20 0.49

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
SCHEMBL12732312 0.91 KDM4E (0.58) KDM4ESMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL10610678 0.90 KDM4E (0.71) KDM4ESMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL10612092 0.87 MAPT (0.71) KDM4ESMN1; SMN2ALDH1A1ACACALMNA
SCHEMBL5794038 0.86 KDM4E (0.53) KDM4ESMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL12732313 0.86 KDM4E (0.53) KDM4ESMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL12732311 0.85 KDM4E (0.53) KDM4ESMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL28505794 0.85 ACACA (0.78) KDM4ESMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL14623967 0.85 KDM4E (0.55) KDM4ESMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL8161422 0.84 RAC1 (0.52) KDM4ESMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL13350452 0.84 KDM4E (0.74) KDM4ESMN1; SMN2ALDH1A1MEN1KMT2A

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 245 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004026896-A2 HCV NS-3 SERINE PROTEASE INHIBITORS MEDIVIR AB (SE) 2004-04-01 WO claimed
US-10172846-B2 HCV NS-3 serine protease inhibitors MEDIVIR AB (SE) 2019-01-08 US disclosed
US-10172846-B2 HCV NS-3 serine protease inhibitors MEDIVIR AB (SE) 2019-01-08 US disclosed
EP-2970195-B1 PROCESSES FOR PRODUCING SOVAPREVIR ACHILLION PHARMACEUTICALS INC (US) 2017-08-02 EP disclosed
US-20170196849-A1 HCV NS-3 SERINE PROTEASE INHIBITORS MEDIVIR AB (SE) 2017-07-13 US disclosed
US-20170196849-A1 HCV NS-3 SERINE PROTEASE INHIBITORS MEDIVIR AB (SE) 2017-07-13 US disclosed
US-20170196849-A1 HCV NS-3 SERINE PROTEASE INHIBITORS MEDIVIR AB (SE) 2017-07-13 US disclosed
US-9481708-B2 Process for producing Sovaprevir ACHILLION PHARMACEUTICALS, INC. (US) 2016-11-01 US disclosed
US-9481708-B2 Process for producing Sovaprevir ACHILLION PHARMACEUTICALS, INC. (US) 2016-11-01 US disclosed
EP-3059241-A1 INTERMEDIATES IN THE PREPARATION OF A BIS(BENZIMIDAZOLE)CYCLOPHANE DERIVATIVE Achillion Pharmaceuticals, Inc. (US) 2016-08-24 EP disclosed
US-6329379-B1 OLIGOPEPTIDES FOR INHIBITING HEPATITIS BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2001-12-11 US disclosed
US-6329417-B1 RACEMATES, DIASTEREOISOMERS AND OPTICAL ISOMERS; PROTEASE INHIBITOR PEPTIDE ANALOG BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2001-12-11 US disclosed
US-6323180-B1 PROTEASE INHIBITORS; INHIBIT REPLICATION OF HEPATITIS C VIRUS BOEHRINGER INGELHEIM (CANADA) LTD (CA) 2001-11-27 US disclosed
CN-1323316-A Hepatitis C tripeptide inhibitors BOEHRINGER INGELHEIM CA LTD (CA) 2001-11-21 CN disclosed
CN-1315965-A Hepatitis C inhibitor peptides BOEHRINGER INGELHEIM CA LTD (CA) 2001-10-03 CN disclosed
US-6268207-B1 RESOLUTION OF ENANTIOMERS FROM A MIXTURE OF (1R,2S)/(1S,2S)-1-AMINO-2-VINYLCYCLOPROPYL CARBOXYLIC ACID METHYL ESTER COMPRISING THE STEP OF TREATING SAID MIXTURE WITH AN ESTERASE TO OBTAIN THE CORRESPONDING (1R,2S) ENANTIOMER BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2001-07-31 US disclosed
EP-1105422-A1 HEPATITIS C INHIBITOR PEPTIDES BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2001-06-13 EP disclosed
EP-1105413-A2 HEPATITIS C INHIBITOR TRI-PEPTIDES BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2001-06-13 EP disclosed
WO-2000009558-A1 HEPATITIS C INHIBITOR PEPTIDES BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2000-02-24 WO disclosed
WO-2000009543-A2 HEPATITIS C INHIBITOR TRI-PEPTIDES BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2000-02-24 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-20170196849-A1 HCV NS-3 SERINE PROTEASE INHIBITORS HPN, CPN1, PRSS1 KDM4E 4633/4885SMN1; SMN2 3361/4885ALDH1A1 4292/4885
US-10172846-B2 HCV NS-3 serine protease inhibitors HPN, CPN1, PRSS1 KDM4E 4633/4885SMN1; SMN2 3361/4885ALDH1A1 4292/4885

“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.