SCHEMBL10034779

SCHEMBL10034779

COCCOc1cc(C(C)=O)ccc1Br

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.45
KMT2A Q03164 4/20 0.45
MAOB P27338 2/20 0.42
KDM4E B2RXH2 2/20 0.42
HTT P42858 1/20 0.42
CREBBP Q92793 1/20 0.42
MEN1 O00255 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SMPD1 P17405 3/20 0.41
ALDH1A1 P00352 3/20 0.40
GAA P10253 1/20 0.40
POLB P06746 1/20 0.40
HPGD P15428 1/20 0.40
HDAC1 Q13547 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39

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
SCHEMBL1346383 0.88 POLB (0.49) SLC6A4HTTSMPD1ALDH1A1POLB
SCHEMBL1344274 0.86 MAPT (0.50) SLC6A4KMT2AKDM4EHTTL3MBTL1
SCHEMBL5050751 0.85 KMT2A (0.55) KMT2AMAOBKDM4EHTTCREBBP
SCHEMBL10034777 0.85 GSK3B (0.45) SLC6A4KMT2AKDM4EHTTSMPD1
SCHEMBL10034776 0.84 KMT2A (0.47) KMT2AMAOBKDM4EHTTCREBBP
SCHEMBL979369 0.84 POLB (0.46) SLC6A4KMT2AKDM4EHTTSMPD1
SCHEMBL6096092 0.83 KMT2A (0.63) KMT2AMAOBMEN1ALDH1A1HPGD
SCHEMBL4775181 0.83 KMT2A (0.56) KMT2AMAOBMEN1SMPD1ALDH1A1
SCHEMBL30823363 0.82 MAPT (0.46) SLC6A4KMT2AKDM4EHTTL3MBTL1
SCHEMBL27140070 0.82 MAPT (0.46) SLC6A4KMT2AKDM4EHTTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8822520-B2 Substituted bicyclic HCV inhibitors PRESIDIO PHARMACEUTICALS, INC. (US) 2014-09-02 US disclosed
US-8822520-B2 Substituted bicyclic HCV inhibitors PRESIDIO PHARMACEUTICALS, INC. (US) 2014-09-02 US disclosed
US-20130178507-A1 SUBSTITUTED BICYCLIC HCV INHIBITORS PRESIDIO PHARMACEUTICALS, INC. (US) 2013-07-11 US disclosed
US-20130178507-A1 SUBSTITUTED BICYCLIC HCV INHIBITORS PRESIDIO PHARMACEUTICALS, INC. (US) 2013-07-11 US disclosed
WO-2012040389-A2 SUBSTITUTED BICYCLIC HCV INHIBITORS PRESIDIO PHARMACEUTICALS, INC. (US) 2012-03-29 WO disclosed
US-20120028978-A1 SUBSTITUTED BICYCLIC HCV INHIBITORS PRESIDIO PHARMACEUTICALS, INC. (US) 2012-02-02 US disclosed
US-20120028978-A1 SUBSTITUTED BICYCLIC HCV INHIBITORS PRESIDIO PHARMACEUTICALS, INC. (US) 2012-02-02 US disclosed
WO-2010111673-A1 SUBSTITUTED BICYCLIC HCV INHIBITORS PRESIDIO PHARMACEUTICALS, INC. (US) 2010-09-30 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-20130178507-A1 SUBSTITUTED BICYCLIC HCV INHIBITORS HAVCR2, LIPC, EIF2AK2 SLC6A4 4107/4885KMT2A 3912/4885MAOB 1627/4885
US-20120028978-A1 SUBSTITUTED BICYCLIC HCV INHIBITORS HAVCR2, LIPC, EIF2AK2 SLC6A4 4107/4885KMT2A 3912/4885MAOB 1627/4885

“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.