SCHEMBL7604661

SCHEMBL7604661

Brc1ccc(-c2ccc3cc(Br)ccc3n2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.56
ESR2 Q92731 2/20 0.56
BACE1 P56817 1/20 0.55
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
AR P10275 2/20 0.43
EPRS1 P07814 2/20 0.42
MAPT P10636 2/20 0.42
CYP3A4 P08684 2/20 0.42
KDM4E B2RXH2 1/20 0.42
GMNN O75496 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TP53 P04637 1/20 0.42
PKM P14618 1/20 0.42
HPGD P15428 1/20 0.42
THPO P40225 1/20 0.42
BLM P54132 1/20 0.42
PMP22 Q01453 1/20 0.42

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
SCHEMBL4078317 0.89 MAOA (0.52) ESR1ESR2BACE1MEN1KMT2A
SCHEMBL3716180 0.89 BACE1 (0.52) ESR1ESR2BACE1MEN1KMT2A
SCHEMBL7265492 0.87 BACE1 (0.63) ESR1ESR2BACE1MEN1KMT2A
SCHEMBL18943907 0.85 ESR1 (0.46) ESR1ESR2BACE1MEN1KMT2A
SCHEMBL12003391 0.82 BACE1 (0.49) ESR1ESR2BACE1MEN1KMT2A
SCHEMBL18943880 0.81 RXFP1 (0.46) ESR1ESR2BACE1MEN1KMT2A
SCHEMBL20660654 0.80 BACE1 (0.51) ESR1ESR2BACE1MEN1KMT2A
SCHEMBL18943903 0.80 HTT (0.47) ESR1ESR2BACE1MEN1KMT2A
SCHEMBL972078 0.80 RAB9A (0.67) ESR1ESR2MEN1KMT2ANPC1
SCHEMBL29449761 0.80 RAB9A (0.67) ESR1ESR2MEN1KMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150057218-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS INC (US) 2015-02-26 US disclosed
US-20150057218-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS INC (US) 2015-02-26 US disclosed
US-8921369-B2 Inhibitors of HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2014-12-30 US disclosed
US-8921369-B2 Inhibitors of HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2014-12-30 US disclosed
US-8877707-B2 Inhibitors of HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2014-11-04 US disclosed
EP-2682393-A1 Inhibitors of HCV NS5A comprising a bicyclic core. Presidio Pharmaceuticals, Inc. (US) 2014-01-08 EP disclosed
US-20130203656-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2013-08-08 US disclosed
US-20130203656-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2013-08-08 US disclosed
EP-2373172-B1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS INC (US) 2013-07-17 EP disclosed
US-20130096101-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2013-04-18 US disclosed
US-20130096101-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2013-04-18 US disclosed
WO-2010065674-A9 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2012-05-31 WO disclosed
US-20120122864-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2012-05-17 US disclosed
US-20120122864-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2012-05-17 US disclosed
WO-2011149856-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2011-12-01 WO disclosed
WO-2010065674-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2010-06-10 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 (4 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-20130096101-A1 INHIBITORS OF HCV NS5A HAVCR2, MAVS, EIF2AK2 ESR1 3648/4885ESR2 3148/4885BACE1 4175/4885
US-20120122864-A1 INHIBITORS OF HCV NS5A HAVCR2, MAVS, EIF2AK2 ESR1 3670/4885ESR2 2886/4885BACE1 4102/4885
US-20150057218-A1 INHIBITORS OF HCV NS5A HAVCR2, MAVS, EIF2AK2 ESR1 3670/4885ESR2 2886/4885BACE1 4102/4885
US-20130203656-A1 INHIBITORS OF HCV NS5A HAVCR2, MAVS, EIF2AK2 ESR1 3670/4885ESR2 2886/4885BACE1 4102/4885

“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.