SCHEMBL7604754

SCHEMBL7604754

CC(=O)c1ccc2c(Br)cccc2c1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.64
MAPT P10636 2/20 0.64
HPGD P15428 1/20 0.64
SLC9A1 P19634 1/20 0.60
PTPN1 P18031 1/20 0.46
KMT2A Q03164 4/20 0.45
NPC1 O15118 4/20 0.45
RAB9A P51151 4/20 0.45
MEN1 O00255 3/20 0.45
CYP2A6 P11509 1/20 0.44
LMNA P02545 2/20 0.40
RXFP1 Q9HBX9 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
S100A4 P26447 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
GAA P10253 1/20 0.38
DHFR P00374 1/20 0.38
TP53 P04637 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
SCHEMBL31474562 1.00 ALDH1A1 (0.64) ALDH1A1MAPTHPGDSLC9A1PTPN1
SCHEMBL3106132 0.84 PTPN1 (0.66) ALDH1A1MAPTHPGDSLC9A1PTPN1
SCHEMBL6913161 0.82 PTPN1 (0.64) ALDH1A1MAPTHPGDSLC9A1PTPN1
SCHEMBL6917825 0.82 PTPN1 (0.64) ALDH1A1MAPTHPGDSLC9A1PTPN1
SCHEMBL6914944 0.82 PTPN1 (0.64) ALDH1A1MAPTHPGDSLC9A1PTPN1
SCHEMBL3171151 0.82 SLC9A1 (0.69) ALDH1A1MAPTHPGDSLC9A1PTPN1
SCHEMBL6916983 0.82 PTPN1 (0.64) ALDH1A1MAPTHPGDSLC9A1PTPN1
SCHEMBL6913165 0.82 PTPN1 (0.64) ALDH1A1MAPTHPGDSLC9A1PTPN1
SCHEMBL16335025 0.82 SLC9A1 (0.60) ALDH1A1MAPTHPGDSLC9A1PTPN1
SCHEMBL6917276 0.82 PTPN1 (0.64) ALDH1A1MAPTHPGDSLC9A1PTPN1

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 15 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
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 ALDH1A1 3636/4885MAPT 3230/4885HPGD 3967/4885
US-20120122864-A1 INHIBITORS OF HCV NS5A HAVCR2, MAVS, EIF2AK2 ALDH1A1 3492/4885MAPT 3250/4885HPGD 3758/4885
US-20150057218-A1 INHIBITORS OF HCV NS5A HAVCR2, MAVS, EIF2AK2 ALDH1A1 3492/4885MAPT 3250/4885HPGD 3758/4885
US-20130203656-A1 INHIBITORS OF HCV NS5A HAVCR2, MAVS, EIF2AK2 ALDH1A1 3492/4885MAPT 3250/4885HPGD 3758/4885

“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.