SCHEMBL7601291

SCHEMBL7601291

O=c1cc2c(Br)cccc2c[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.43
CA12 O43570 1/20 0.43
CA9 Q16790 1/20 0.43
AHR P35869 1/20 0.38
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
SLC9A1 P19634 1/20 0.34
TYMS P04818 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALPL P05186 1/20 0.33
GAA P10253 1/20 0.33
DYRK1A Q13627 1/20 0.33
CYP2A6 P11509 1/20 0.33
NOS1 P29475 2/20 0.32
AXL P30530 1/20 0.32
BACE1 P56817 1/20 0.32
AR P10275 1/20 0.31

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
SCHEMBL21237470 0.73 CA2 (0.35) PARP1ALDH1A1KDM4EALPLGAA
SCHEMBL29971666 0.71 ALDH1A1 (0.43) PARP1CA12CA9AHRALDH1A1
SCHEMBL2227885 0.71 ALDH1A1 (0.43) PARP1CA12CA9AHRALDH1A1
SCHEMBL642262 0.70 GRIN2D (0.44) PARP1CA12CA9ALDH1A1MEN1
SCHEMBL29420851 0.69 SLC9A1 (0.42) PARP1CA12CA9AHRALDH1A1
SCHEMBL1646342 0.69 SLC9A1 (0.42) PARP1CA12CA9AHRALDH1A1
SCHEMBL1046207 0.69 AHR (0.40) PARP1CA12CA9AHRMEN1
Hydrochloric Acid SCHEMBL2539013 0.69 GRIN2D (0.43) PARP1CA12CA9ALDH1A1MEN1
SCHEMBL2407961 0.66 ALDH1A1 (0.45) AHRALDH1A1MEN1KMT2ARXFP1
SCHEMBL29388401 0.66 ALDH1A1 (0.45) AHRALDH1A1MEN1KMT2ARXFP1

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 PARP1 2722/4885CA12 4786/4885CA9 4730/4885
US-20120122864-A1 INHIBITORS OF HCV NS5A HAVCR2, MAVS, EIF2AK2 PARP1 2676/4885CA12 4776/4885CA9 4752/4885
US-20150057218-A1 INHIBITORS OF HCV NS5A HAVCR2, MAVS, EIF2AK2 PARP1 2676/4885CA12 4776/4885CA9 4752/4885
US-20130203656-A1 INHIBITORS OF HCV NS5A HAVCR2, MAVS, EIF2AK2 PARP1 2676/4885CA12 4776/4885CA9 4752/4885

“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.