SCHEMBL933637

SCHEMBL933637

Brc1ccc(-c2ncc3cc(Br)ccc3n2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
BACE1 P56817 1/20 0.43
CYP1A2 P05177 2/20 0.42
MAOA P21397 5/20 0.41
MAOB P27338 5/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
AHR P35869 1/20 0.40
CYP1B1 Q16678 2/20 0.39
CYP1A1 P04798 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
RECQL P46063 1/20 0.39
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 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
SCHEMBL14076023 0.90 CYP1A2 (0.39) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL1822333 0.89 MAOA (0.52) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL31116658 0.86 HTR3A (0.41) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL7601945 0.86 EGFR (0.45) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL14076024 0.86 APP (0.51) CYP1A2MAOAMAOBMAPT
SCHEMBL14076020 0.86 CYP1A2 (0.64) NPC1SMN1; SMN2BACE1CYP1A2MAOA
SCHEMBL28430639 0.84 CYP2A6 (0.52) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL29927990 0.81 CYP1A2 (0.63) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL2303247 0.81 CYP1A2 (0.63) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL7603316 0.80 CYP1A2 (0.54) NPC1RAB9ASMN1; SMN2CYP1A2MEN1

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 20 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
US-20110112100-A1 Hepatitis C Virus Inhibitors PFIZER INC. 2011-05-12 US disclosed
US-20110112100-A1 Hepatitis C Virus Inhibitors PFIZER INC. 2011-05-12 US disclosed
US-20110112100-A1 Hepatitis C Virus Inhibitors PFIZER INC. 2011-05-12 US disclosed
WO-2011004276-A1 HEPATITIS C VIRUS INHIBITORS PFIZER LIMITED (GB) 2011-01-13 WO disclosed
WO-2011004276-A1 HEPATITIS C VIRUS INHIBITORS PFIZER LIMITED (GB) 2011-01-13 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-20130096101-A1 INHIBITORS OF HCV NS5A HAVCR2, MAVS, EIF2AK2 NPC1 119/4885RAB9A 1313/4885SMN1; SMN2 4637/4885
US-20120122864-A1 INHIBITORS OF HCV NS5A HAVCR2, MAVS, EIF2AK2 NPC1 122/4885RAB9A 1482/4885SMN1; SMN2 4634/4885
US-20110112100-A1 Hepatitis C Virus Inhibitors HAVCR2, SLC10A1, HCCS NPC1 36/4885RAB9A 2253/4885SMN1; SMN2 4184/4885
US-20150057218-A1 INHIBITORS OF HCV NS5A HAVCR2, MAVS, EIF2AK2 NPC1 122/4885RAB9A 1482/4885SMN1; SMN2 4634/4885
US-20130203656-A1 INHIBITORS OF HCV NS5A HAVCR2, MAVS, EIF2AK2 NPC1 122/4885RAB9A 1482/4885SMN1; SMN2 4634/4885

“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.