SCHEMBL542216

SCHEMBL542216

Fc1ccc(-c2cc(CCl)on2)c(C(F)(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.42
AR P10275 4/20 0.39
TRPA1 O75762 1/20 0.37
IDO1 P14902 2/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
EIF4E P06730 1/20 0.35
PTPRB P23467 1/20 0.35
CACNA1G O43497 2/20 0.34
GRM5 P41594 1/20 0.34
P2RX7 Q99572 1/20 0.33
CNR2 P34972 1/20 0.33
HSD11B1 P28845 1/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33

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
SCHEMBL5309293 0.87 NOTUM (0.45) KCNH2ARTRPA1IDO1NPC1
SCHEMBL1220445 0.87 KCNH2 (0.51) KCNH2EIF4ECACNA1G
SCHEMBL3721862 0.86 CACNA1G (0.42) KCNH2NPC1RAB9ACACNA1GPDE3B
SCHEMBL3721640 0.86 KCNH2 (0.39) KCNH2NPC1RAB9ACACNA1G
SCHEMBL1220435 0.82 MAPT (0.41) NPC1RAB9AEIF4E
SCHEMBL3723404 0.82 GPR3 (0.37) KCNH2NPC1RAB9ACACNA1G
SCHEMBL3724820 0.80 LMNA (0.41) KCNH2ARNPC1RAB9A
SCHEMBL1220433 0.79 ALDH1A1 (0.36) KCNH2NPC1RAB9ACACNA1GHSD11B1
SCHEMBL5332136 0.79 IDO1 (0.38) KCNH2ARTRPA1IDO1NPC1
SCHEMBL1221395 0.79 NPC1 (0.36) NPC1RAB9ACACNA1GCNR2PDE3B

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 53 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9242983-B2 Viral inhibitors K.U. LEUVEN RESEARCH & DEVELOPMENT (BE) 2016-01-26 US disclosed
US-9242983-B2 Viral inhibitors K.U. LEUVEN RESEARCH & DEVELOPMENT (BE) 2016-01-26 US disclosed
US-9242983-B2 Viral inhibitors K.U. LEUVEN RESEARCH & DEVELOPMENT (BE) 2016-01-26 US disclosed
EP-2094702-B1 VIRAL INHIBITORS GILEAD SCIENCES INC (US) 2015-09-02 EP disclosed
EP-2094702-B1 VIRAL INHIBITORS GILEAD SCIENCES INC (US) 2015-09-02 EP disclosed
CN-101538267-B Imidazo [4,5-c ] pyridine compounds and methods of antiviral treatment LEUVEN K U RES & DEV 2015-04-29 CN disclosed
US-20140221382-A1 VIRAL INHIBITORS GILEAD SCIENCES, INC. (US) 2014-08-07 US disclosed
US-20140221382-A1 VIRAL INHIBITORS GILEAD SCIENCES, INC. (US) 2014-08-07 US disclosed
US-20140221382-A1 VIRAL INHIBITORS GILEAD SCIENCES, INC. (US) 2014-08-07 US disclosed
US-8722677-B2 Viral inhibitors GILEAD SCIENCES, INC. (US) 2014-05-13 US disclosed
US-20080207678-A1 Propylaxic or therapy of viral infections; using pyrrolo( 2,3-c)pyridine GILEAD SCIENCES, INC. 2008-08-28 US disclosed
US-20080207678-A1 Propylaxic or therapy of viral infections; using pyrrolo( 2,3-c)pyridine GILEAD SCIENCES, INC. 2008-08-28 US disclosed
US-20080207678-A1 Propylaxic or therapy of viral infections; using pyrrolo( 2,3-c)pyridine GILEAD SCIENCES, INC. 2008-08-28 US disclosed
US-20070244148-A1 Imidazo 4,5-C Pyridine Compounds and Methods of Antiviral Treatment KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2007-10-18 US disclosed
US-20070244148-A1 Imidazo 4,5-C Pyridine Compounds and Methods of Antiviral Treatment KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2007-10-18 US disclosed
US-20070244148-A1 Imidazo 4,5-C Pyridine Compounds and Methods of Antiviral Treatment KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2007-10-18 US disclosed
CN-1902198-A Imidazo [4, 5-c ] pyridine compounds and methods of antiviral treatment K U LEUVEN RES & DEV GERHARD P (BE) 2007-01-24 CN disclosed
EP-1706403-A2 IMIDAZO[4,5-C]PYRIDINE COMPOUNDS AND METHODS OF ANTIVIRAL TREATMENT K.U.Leuven Research & Development (BE) 2006-10-04 EP disclosed
US-20050222198-A1 Imidazo[4,5-c]pyridine compounds and methods of antiviral treatment K.U. LEUVEN RESEARCH & DEVELOPMENT, GERHARD PUERSTINGER AND GILEAD SCIENCES, INC. 2005-10-06 US disclosed
WO-2005063744-A2 IMIDAZO[4,5-c]PYRIDINE COMPOUNDS AND METHODS OF ANTIVIRAL TREATMENT K.U. LEUVEN RESEARCH & DEVELOPMENT (BE) 2005-07-14 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-20080207678-A1 Propylaxic or therapy of viral infections; using pyrrolo( 2,3-c)pyridine PNPO, PRDX6, PRDX4 KCNH2 2847/4885AR 2923/4885TRPA1 4466/4885
US-20070244148-A1 Imidazo 4,5-C Pyridine Compounds and Methods of Antiviral Treatment ZC3HAV1, TPMT, DPP4 KCNH2 1346/4885AR 4328/4885TRPA1 3904/4885
US-20050222198-A1 Imidazo[4,5-c]pyridine compounds and methods of antiviral treatment CYP3A5, TPMT, TYMP KCNH2 1866/4885AR 3409/4885TRPA1 3853/4885
US-20140221382-A1 VIRAL INHIBITORS ZC3HAV1, DDX5, ZC3HAV1L KCNH2 3302/4885AR 2679/4885TRPA1 4823/4885

“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.