SCHEMBL6368019

SCHEMBL6368019

CC(=O)/C=C/c1ccc2nc(C3(N)CCC3)n(C)c2c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 6/20 0.41
IAPP P10997 1/20 0.39
PTGS1 P23219 1/20 0.39
AKT1 P31749 8/20 0.35
APP P05067 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2C8 P10632 1/20 0.34
HDAC8 Q9BY41 3/20 0.34
HDAC6 Q9UBN7 1/20 0.34
AKT2 P31751 6/20 0.33
GLA P06280 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
FDPS P14324 1/20 0.33
IP6K1 Q92551 1/20 0.32
IP6K3 Q96PC2 1/20 0.32
IP6K2 Q9UHH9 1/20 0.32

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
SCHEMBL973374 0.88 AKT1 (0.47) HDAC1AKT1APPCYP1A2CYP2C8
SCHEMBL973372 0.88 AKT1 (0.47) HDAC1AKT1APPCYP1A2CYP2C8
SCHEMBL12190763 0.85 TTR (0.46) HDAC1AKT1FDPS
SCHEMBL13680346 0.85 TTR (0.46) HDAC1AKT1FDPS
SCHEMBL12190734 0.82 APP (0.49) HDAC1AKT1APPCYP1A2CYP2C8
SCHEMBL4432438 0.81 HDAC1 (0.47) HDAC1AKT1HDAC8AKT2
SCHEMBL974028 0.79 HDAC1 (0.47) HDAC1AKT1APPHDAC8AKT2
SCHEMBL974029 0.79 HDAC1 (0.47) HDAC1AKT1APPHDAC8AKT2
SCHEMBL6448113 0.77 CYP1A2 (0.42) HDAC1CYP1A2CYP2C8IP6K1IP6K3
SCHEMBL12190633 0.76 TTR (0.46) HDAC1HDAC8FDPS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140057928-A1 SOLID STATE FORMS OF A POTENT HCV INHIBITOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-02-27 US disclosed
US-20140057928-A1 SOLID STATE FORMS OF A POTENT HCV INHIBITOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-02-27 US disclosed
US-20130288957-A1 ORAL COMBINATION THERAPY FOR TREATING HCV INFECTION IN SPECIFIC PATIENT SUBGENOTYPE POPULATIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-10-31 US disclosed
US-20130288957-A1 ORAL COMBINATION THERAPY FOR TREATING HCV INFECTION IN SPECIFIC PATIENT SUBGENOTYPE POPULATIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-10-31 US disclosed
US-20130261134-A1 MESYLATE SALT FORMS OF A POTENT HCV INHIBITOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-10-03 US disclosed
US-20130261050-A1 ORAL COMBINATION THERAPY FOR TREATING HCV INFECTION IN SPECIFIC PATIENT SUB-POPULATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-10-03 US disclosed
US-20130261134-A1 MESYLATE SALT FORMS OF A POTENT HCV INHIBITOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-10-03 US disclosed
US-20130261050-A1 ORAL COMBINATION THERAPY FOR TREATING HCV INFECTION IN SPECIFIC PATIENT SUB-POPULATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-10-03 US disclosed
US-20120135949-A1 COMBINATION THERAPY FOR TREATING HCV INFECTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-31 US disclosed
US-20120122887-A1 SOLID STATE FORMS OF A POTENT HCV INHIBITOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-17 US 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 (6 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-20120122887-A1 SOLID STATE FORMS OF A POTENT HCV INHIBITOR HAVCR2, SLC10A1, ZC3HAV1 HDAC1 289/4885IAPP 697/4885PTGS1 2317/4885
US-20130288957-A1 ORAL COMBINATION THERAPY FOR TREATING HCV INFECTION IN SPECIFIC PATIENT SUBGENOTYPE POPULATIONS IL36G, IL17A, IL6ST HDAC1 2728/4885IAPP 3738/4885PTGS1 2422/4885
US-20130261050-A1 ORAL COMBINATION THERAPY FOR TREATING HCV INFECTION IN SPECIFIC PATIENT SUB-POPULATION SLC10A1, HAVCR2, GOT2 HDAC1 375/4885IAPP 2703/4885PTGS1 3513/4885
US-20130261134-A1 MESYLATE SALT FORMS OF A POTENT HCV INHIBITOR SLC10A1, HAVCR2, ABL1 HDAC1 813/4885IAPP 1279/4885PTGS1 1088/4885
US-20120135949-A1 COMBINATION THERAPY FOR TREATING HCV INFECTION HAVCR2, EIF2AK2, SLC10A1 HDAC1 464/4885IAPP 2496/4885PTGS1 2001/4885
US-20140057928-A1 SOLID STATE FORMS OF A POTENT HCV INHIBITOR HAVCR2, SLC10A1, ZC3HAV1 HDAC1 289/4885IAPP 697/4885PTGS1 2317/4885

“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.