SCHEMBL995835

SCHEMBL995835

COc1ccc2c(O)ccnc2c1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
HSP90AA1 P07900 3/20 0.40
KDM4E B2RXH2 3/20 0.40
HTT P42858 2/20 0.40
MAPT P10636 2/20 0.40
MAPK1 P28482 2/20 0.40
MMP14 P50281 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
HIF1A Q16665 1/20 0.40
EPAS1 Q99814 1/20 0.40
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
CCR1 P32246 1/20 0.38
CCR5 P51681 1/20 0.38
CCR8 P51685 1/20 0.38
NPC1 O15118 1/20 0.38
NSD2 O96028 1/20 0.38
CASP6 P55212 1/20 0.38

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
SCHEMBL8140602 0.84 SLC40A1 (0.43) MEN1KMT2AHTTCCR1CCR5
SCHEMBL28446875 0.83 MEN1 (0.45) MEN1KMT2AHSP90AA1KDM4EHTT
SCHEMBL13621091 0.82 SLC40A1 (0.42) MEN1KMT2AHSP90AA1KDM4EHTT
SCHEMBL3373931 0.81 CYP19A1 (0.42) MEN1KMT2AHSP90AA1KDM4EHTT
SCHEMBL17212957 0.80 CCR1 (0.45) MEN1KMT2AHSP90AA1KDM4EHTT
SCHEMBL996651 0.79 KDM4E (0.41) MEN1KMT2AHSP90AA1KDM4EHTT
SCHEMBL8602817 0.78 CCR1 (0.48) MEN1KMT2AHSP90AA1KDM4EHTT
SCHEMBL31337072 0.77 HTR1A (0.59) MEN1KMT2AHSP90AA1KDM4EHTT
SCHEMBL2699726 0.77 HTR1A (0.59) MEN1KMT2AHSP90AA1KDM4EHTT
SCHEMBL13763824 0.77 KDM4E (0.41) MEN1KMT2AKDM4EMAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9856265-B2 Macrocyclic inhibitors of hepatitis C virus JANSSEN SCIENCES IRELAND UC (IE) 2018-01-02 US disclosed
US-9856265-B2 Macrocyclic inhibitors of hepatitis C virus JANSSEN SCIENCES IRELAND UC (IE) 2018-01-02 US disclosed
US-20170226111-A1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS JANSSEN SCIENCES IRELAND UC (IE) 2017-08-10 US disclosed
US-20170226111-A1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS JANSSEN SCIENCES IRELAND UC (IE) 2017-08-10 US disclosed
US-20170226111-A1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS JANSSEN SCIENCES IRELAND UC (IE) 2017-08-10 US disclosed
US-9623022-B2 Macrocyclic inhibitors of hepatitis C virus JANSSEN SCIENCES IRELAND UC (IE) 2017-04-18 US disclosed
US-9623022-B2 Macrocyclic inhibitors of hepatitis C virus JANSSEN SCIENCES IRELAND UC (IE) 2017-04-18 US disclosed
US-9623022-B2 Macrocyclic inhibitors of hepatitis C virus JANSSEN SCIENCES IRELAND UC (IE) 2017-04-18 US disclosed
US-20160235737-A1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS Janssen Sciences Ireland Unlimited Company (IE) 2016-08-18 US disclosed
US-20160235737-A1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS Janssen Sciences Ireland Unlimited Company (IE) 2016-08-18 US disclosed
WO-2007014925-A1 MACROCYLIC INHIBITORS OF HEPATITIS C VIRUS TIBOTEC PHARMACEUTICALS LTD. (IE) 2007-02-08 WO disclosed
WO-2007014925-A1 MACROCYLIC INHIBITORS OF HEPATITIS C VIRUS TIBOTEC PHARMACEUTICALS LTD. (IE) 2007-02-08 WO disclosed
WO-2007014926-A1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS TIBOTEC PHARMACEUTICALS LTD. (IE) 2007-02-08 WO disclosed
US-20060258868-A1 Hepatitis c inhibitor peptide analogs BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-11-16 US disclosed
US-20060046965-A1 Hepatitis C inhibitor dipeptide analogs BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-03-02 US disclosed
US-20060019905-A1 inhibitors of the hepatitis C virus NS3 protease; azalactone intermediate reacted with cycloalkylsulfonamide and decylization; urea or carbamate-terminated alkylglycine, hydroxyproline, cyclopropylglycine tripeptide BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-01-26 US disclosed
WO-2006007700-A1 HEPATITIS C INHIBITOR DIPEPTIDE ANALOGS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-01-26 WO disclosed
WO-2006007708-A1 HEPATITIS C INHIBITOR PEPTIDE ANALOGS BOEHRINGER ENGELHEIM INTERNATIONAL GMBH (DE) 2006-01-26 WO disclosed
WO-2006000085-A1 HEPATITIS C INHIBITOR PEPTIDE ANALOGS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-01-05 WO disclosed
WO-2006000085-A1 HEPATITIS C INHIBITOR PEPTIDE ANALOGS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-01-05 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 (5 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-20170226111-A1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS CYP2A7, CYP3A7, HCCS MEN1 4185/4885KMT2A 3645/4885HSP90AA1 3620/4885
US-20160235737-A1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS CYP2A7, CYP3A7, HCCS MEN1 4185/4885KMT2A 3645/4885HSP90AA1 3620/4885
US-20060046965-A1 Hepatitis C inhibitor dipeptide analogs DPP3, CTSC, ANPEP MEN1 3216/4885KMT2A 3349/4885HSP90AA1 1942/4885
US-20060258868-A1 Hepatitis c inhibitor peptide analogs NGLY1, PRMT3, CTSC MEN1 1784/4885KMT2A 2888/4885HSP90AA1 2473/4885
US-20060019905-A1 inhibitors of the hepatitis C virus NS3 protease; azalactone intermediate reacted with cycloalkylsulfonamide and decylization; urea or carbamate-terminated alkylglycine, hydroxyproline, cyclopropylglycine tripeptide CPN1, HPN, CTSC MEN1 4144/4885KMT2A 2192/4885HSP90AA1 982/4885

“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.