SCHEMBL5309595

SCHEMBL5309595

Cc1cc(C)n2nc(-c3ccc(Br)cc3)cc2n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 1.00
RAB9A P51151 9/20 1.00
KDM4E B2RXH2 7/20 0.77
ALDH1A1 P00352 7/20 0.77
SMN1; SMN2 Q16637 5/20 0.77
HCRTR1 O43613 1/20 0.74
CASP3 P42574 1/20 0.74
SENP8 Q96LD8 1/20 0.74
SENP7 Q9BQF6 1/20 0.74
SENP6 Q9GZR1 1/20 0.74
MAPT P10636 6/20 0.68
HPGD P15428 4/20 0.68
TP53 P04637 1/20 0.68
LMNA P02545 1/20 0.57
POLB P06746 1/20 0.52
GAA P10253 1/20 0.52
PIK3CG P48736 1/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
NFKB1 P19838 1/20 0.51

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
SCHEMBL4151815 0.84 ALDH1A1 (0.74) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL5270613 0.83 NPC1 (1.00) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL27390352 0.81 RAB9A (1.00) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL14542187 0.77 NPC1 (0.63) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL30069196 0.77 NPC1 (0.65) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL9975836 0.75 NPC1 (0.62) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL4148547 0.74 NPC1 (0.59) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL21775456 0.73 NPC1 (0.57) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL5270607 0.73 PIK3CG (0.68) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL3704457 0.71 NPC1 (0.71) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170273962-A1 Inhibitors of Hepatitis C Virus Polymerase COCRYSTAL PHARMA, INC. 2017-09-28 US disclosed
US-20170273962-A1 Inhibitors of Hepatitis C Virus Polymerase COCRYSTAL PHARMA, INC. 2017-09-28 US disclosed
US-9707215-B2 Inhibitors of hepatitis C virus polymerase COCRYSTAL, DISCOVERY, INC. (US) 2017-07-18 US disclosed
US-9707215-B2 Inhibitors of hepatitis C virus polymerase COCRYSTAL, DISCOVERY, INC. (US) 2017-07-18 US disclosed
US-20150182514-A1 INHIBITORS OF HEPATITIS C VIRUS POLYMERASE COCRYSTAL PHARMA, INC. 2015-07-02 US disclosed
US-20150182514-A1 INHIBITORS OF HEPATITIS C VIRUS POLYMERASE COCRYSTAL PHARMA, INC. 2015-07-02 US disclosed
US-20140322165-A1 INHIBITORS OF HEPATITIS C VIRUS POLYMERASE COCRYSTAL DISCOVERY INC (US) 2014-10-30 US disclosed
US-20140322165-A1 INHIBITORS OF HEPATITIS C VIRUS POLYMERASE COCRYSTAL DISCOVERY INC (US) 2014-10-30 US disclosed
US-8771665-B2 Inhibitors of hepatitis C virus polymerase COCRYSTAL DISCOVERY, INC. (US) 2014-07-08 US disclosed
US-8771665-B2 Inhibitors of hepatitis C virus polymerase COCRYSTAL DISCOVERY, INC. (US) 2014-07-08 US disclosed
US-20120183496-A1 INHIBITORS OF HEPATITIS C VIRUS POLYMERASE COCRYSTAL DISCOVERY, INC. (US) 2012-07-19 US disclosed
US-20120183496-A1 INHIBITORS OF HEPATITIS C VIRUS POLYMERASE COCRYSTAL DISCOVERY, INC. (US) 2012-07-19 US disclosed
WO-2012083105-A1 INHIBITORS OF HEPATITIS C VIRUS POLYMERASE COCRYSTAL DISCOVERY, INC. (US) 2012-06-21 WO disclosed
WO-2007039146-A1 4-CARBOXY PYRAZOLE DERIVATIVES AS ANTI-VIRAL AGENTS SMITHKLINE BEECHAM CORPORATION (US) 2007-04-12 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-20120183496-A1 INHIBITORS OF HEPATITIS C VIRUS POLYMERASE POLR2A, POLR2B, POLR2E NPC1 658/4885RAB9A 2683/4885KDM4E 2970/4885
US-20150182514-A1 INHIBITORS OF HEPATITIS C VIRUS POLYMERASE POLR2E, POLR2H, GTF3C3 NPC1 353/4885RAB9A 3932/4885KDM4E 3082/4885
US-20170273962-A1 Inhibitors of Hepatitis C Virus Polymerase POLR2E, POLR2H, GTF3C3 NPC1 353/4885RAB9A 3932/4885KDM4E 3082/4885
US-20140322165-A1 INHIBITORS OF HEPATITIS C VIRUS POLYMERASE POLR2A, POLR2B, POLR2E NPC1 658/4885RAB9A 2683/4885KDM4E 2970/4885

“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.