SCHEMBL863733

SCHEMBL863733

COC(=O)c1ccn(CC(=O)N(C)C)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.55
POLB P06746 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
RAB9A P51151 4/20 0.52
NPC1 O15118 3/20 0.52
MEN1 O00255 1/20 0.52
AR P10275 1/20 0.43
ALDH1A1 P00352 3/20 0.43
KDM4C Q9H3R0 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
KDM4E B2RXH2 2/20 0.39
IGF1R P08069 3/20 0.38
NPSR1 Q6W5P4 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
TSHR P16473 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL864467 0.83 KMT2A (0.59) KMT2APOLBTDP1RAB9ANPC1
SCHEMBL6876035 0.83 SMN1; SMN2 (0.46) KMT2APOLBTDP1RAB9ANPC1
SCHEMBL23773671 0.80 RAB9A (0.53) KMT2APOLBTDP1RAB9ANPC1
SCHEMBL10026496 0.80 KMT2A (0.64) KMT2APOLBTDP1RAB9ANPC1
SCHEMBL865863 0.80 KDM4C (0.40) KMT2APOLBTDP1RAB9ANPC1
SCHEMBL10133288 0.79 ALDH1A1 (0.63) KMT2APOLBTDP1RAB9ANPC1
SCHEMBL25786633 0.78 RAB9A (0.57) KMT2APOLBTDP1RAB9ANPC1
SCHEMBL26910764 0.77 KMT2A (0.53) KMT2APOLBTDP1RAB9ANPC1
SCHEMBL26910772 0.76 NPC1 (0.56) KMT2APOLBTDP1RAB9ANPC1
SCHEMBL22305679 0.76 GAA (0.50) NPC1KDM4ENPSR1SMN1; SMN2

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
EP-2504343-A1 HEPATITIS C INHIBITOR COMPOUNDS Boehringer Ingelheim International GmbH (DE) 2012-10-03 EP disclosed
US-20120077737-A1 HEPATITIS C INHIBITOR COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-03-29 US disclosed
US-20120077737-A1 HEPATITIS C INHIBITOR COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-03-29 US disclosed
US-20120077737-A1 HEPATITIS C INHIBITOR COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-03-29 US disclosed
US-20110294778-A1 HEPATITIS C INHIBITOR COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-01 US disclosed
US-20110294778-A1 HEPATITIS C INHIBITOR COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-01 US disclosed
WO-2011063501-A1 HEPATITIS C INHIBITOR COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-06-03 WO disclosed
WO-2011063501-A1 HEPATITIS C INHIBITOR COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-06-03 WO disclosed
WO-2011063502-A1 HEPATITIS C INHIBITOR COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-06-03 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-20110294778-A1 HEPATITIS C INHIBITOR COMPOUNDS ABCC1, CTRC, HAVCR2 KMT2A 3450/4885POLB 1815/4885TDP1 3287/4885
US-20120077737-A1 HEPATITIS C INHIBITOR COMPOUNDS CTSC, HCCS, CTSZ KMT2A 1666/4885POLB 2530/4885TDP1 4417/4885

“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.