SCHEMBL117430

SCHEMBL117430

O=C(O)c1cc(-c2ccc(Br)cc2)nc2ccc(Br)cc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPRS1 P07814 3/20 0.79
DHODH Q02127 3/20 0.78
RXFP1 Q9HBX9 5/20 0.68
MEN1 O00255 4/20 0.68
KMT2A Q03164 4/20 0.68
GAA P10253 3/20 0.68
PPARG P37231 3/20 0.68
NCOR2 Q9Y618 3/20 0.68
KDM4E B2RXH2 2/20 0.68
POLB P06746 2/20 0.68
MC4R P32245 1/20 0.68
NPSR1 Q6W5P4 1/20 0.68
NPC1 O15118 1/20 0.64
ALDH1A1 P00352 4/20 0.64
HPGD P15428 2/20 0.64
HSD17B10 Q99714 2/20 0.64
PTGES O14684 1/20 0.64
ALOX5 P09917 1/20 0.64
CYP2C9 P11712 1/20 0.64
CASP7 P55210 1/20 0.64

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
SCHEMBL5530291 0.93 EPRS1 (0.85) EPRS1DHODHRXFP1MEN1KMT2A
SCHEMBL12237494 0.93 RXFP1 (0.75) EPRS1DHODHRXFP1MEN1KMT2A
SCHEMBL1899098 0.92 RXFP1 (0.79) EPRS1DHODHRXFP1MEN1KMT2A
SCHEMBL5838639 0.91 DHODH (0.74) EPRS1DHODHRXFP1MEN1KMT2A
SCHEMBL18320549 0.91 DHODH (0.76) EPRS1DHODHRXFP1MEN1KMT2A
SCHEMBL7814193 0.90 GAA (0.71) EPRS1DHODHRXFP1MEN1KMT2A
SCHEMBL18320787 0.89 KDM4E (0.71) EPRS1DHODHRXFP1MEN1KMT2A
SCHEMBL5792900 0.88 DHODH (0.78) EPRS1DHODHMEN1KMT2AGAA
SCHEMBL117388 0.88 EPRS1 (1.00) EPRS1DHODHRXFP1MEN1KMT2A
SCHEMBL117422 0.88 PTGES (0.84) EPRS1DHODHKDM4EALDH1A1HPGD

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
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
US-20120058133-A1 INHIBITION OF TRNA SYNTHETASES AND THERAPEUTIC APPLICATIONS THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2012-03-08 US disclosed
US-20120058133-A1 INHIBITION OF TRNA SYNTHETASES AND THERAPEUTIC APPLICATIONS THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2012-03-08 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 (5 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-20120058133-A1 INHIBITION OF TRNA SYNTHETASES AND THERAPEUTIC APPLICATIONS THEREOF AARS1, GARS1, TRMT1 EPRS1 13/4885DHODH 2635/4885RXFP1 1205/4885
US-20130096101-A1 INHIBITORS OF HCV NS5A HAVCR2, MAVS, EIF2AK2 EPRS1 1875/4885DHODH 3751/4885RXFP1 4668/4885
US-20120122864-A1 INHIBITORS OF HCV NS5A HAVCR2, MAVS, EIF2AK2 EPRS1 1657/4885DHODH 3567/4885RXFP1 4688/4885
US-20150057218-A1 INHIBITORS OF HCV NS5A HAVCR2, MAVS, EIF2AK2 EPRS1 1657/4885DHODH 3567/4885RXFP1 4688/4885
US-20130203656-A1 INHIBITORS OF HCV NS5A HAVCR2, MAVS, EIF2AK2 EPRS1 1657/4885DHODH 3567/4885RXFP1 4688/4885

“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.