SCHEMBL877861

SCHEMBL877861

C=CCn1c(Cl)nc2cc(Cl)ccc2c1=O

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.51
▸ ALDH1A1 P00352 4/20 0.51
▸ KDM4E B2RXH2 2/20 0.51
▸ EGFR P00533 1/20 0.47
▸ KMT2A Q03164 5/20 0.42
▸ NPSR1 Q6W5P4 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ MEN1 O00255 3/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ CYP3A4 P08684 1/20 0.39

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
SCHEMBL10736269 0.76 SMN1; SMN2 (0.55) SMN1; SMN2ALDH1A1KDM4EEGFRKMT2A
SCHEMBL10735118 0.75 ALDH1A1 (0.51) SMN1; SMN2ALDH1A1KDM4EKMT2ANPSR1
SCHEMBL28515190 0.74 ADORA2B (0.40) SMN1; SMN2ALDH1A1KDM4EKMT2AMEN1
SCHEMBL29413036 0.74 KAT2B (0.48) ALDH1A1TDP1CYP3A4
SCHEMBL10741060 0.74 ALDH1A1 (0.49) SMN1; SMN2ALDH1A1KDM4EKMT2ANPSR1
SCHEMBL1261585 0.71 USP2 (0.58) SMN1; SMN2ALDH1A1KDM4EKMT2ALMNA
SCHEMBL23601680 0.71 NPC1 (0.43) SMN1; SMN2ALDH1A1EGFRKMT2ANPSR1
SCHEMBL7038026 0.70 HPGD (0.41) SMN1; SMN2ALDH1A1KDM4EKMT2ANPSR1
SCHEMBL3432687 0.70 DPP4 (0.63) ALDH1A1EGFRKMT2ANPSR1MEN1
SCHEMBL11045707 0.68 CASR (0.47) SMN1; SMN2ALDH1A1KDM4EEGFRKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3825312-A1 INTERMEDIATES FOR PREPARING INHIBITORS OF HEPATITIS C VIRUS Gilead Pharmasset LLC (US) 2021-05-26 — — EP disclosed
EP-3825312-A1 INTERMEDIATES FOR PREPARING INHIBITORS OF HEPATITIS C VIRUS Gilead Pharmasset LLC (US) 2021-05-26 — — EP disclosed
US-10603318-B2 Inhibitors of hepatitis C virus GILEAD PHARMASSET LLC (US) 2020-03-31 — — US disclosed
US-10335409-B2 Inhibitors of hepatitis C virus GILEAD PHARMASSET LLC (US) 2019-07-02 — — US disclosed
US-10335409-B2 Inhibitors of hepatitis C virus GILEAD PHARMASSET LLC (US) 2019-07-02 — — US disclosed
EP-3492464-A1 INTERMEDIATES FOR PREPARING INHIBITORS OF HEPATITIS C VIRUS Gilead Sciences, Inc. (US) 2019-06-05 — — EP disclosed
EP-3492464-A1 INTERMEDIATES FOR PREPARING INHIBITORS OF HEPATITIS C VIRUS Gilead Sciences, Inc. (US) 2019-06-05 — — EP disclosed
EP-2970335-B1 MACROCYCLIC AND BICYCLIC INHIBITORS OF HEPATITIS C VIRUS GILEAD SCIENCES INC (US) 2019-05-08 — — EP disclosed
EP-2970335-B1 MACROCYCLIC AND BICYCLIC INHIBITORS OF HEPATITIS C VIRUS GILEAD SCIENCES INC (US) 2019-05-08 — — EP disclosed
US-20190008858-A1 INHIBITORS OF HEPATITIS C VIRUS GILEAD PHARMASSET LLC 2019-01-10 — — US disclosed
US-20140274884-A1 INHIBITORS OF HEPATITIS C VIRUS GILEAD SCIENCES, INC. 2014-09-18 — — US disclosed
US-20140274884-A1 INHIBITORS OF HEPATITIS C VIRUS GILEAD SCIENCES, INC. 2014-09-18 — — US disclosed
US-20140017198-A1 INHIBITORS OF HEPATITIS C VIRUS GILEAD PHARMASSET LLC 2014-01-16 — — US disclosed
WO-2014008285-A1 INHIBITORS OF HEPATITIS C VIRUS GILEAD SCIENCES, INC. (US) 2014-01-09 — — WO disclosed
WO-2014008285-A1 INHIBITORS OF HEPATITIS C VIRUS GILEAD SCIENCES, INC. (US) 2014-01-09 — — WO disclosed
EP-2618665-A1 HCV NS3 PROTEASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2013-07-31 — — EP disclosed
US-20130178413-A1 HCV NS3 PROTEASE INHIBITORS MSD ITALIA SRL (IT) 2013-07-11 — — US disclosed
US-20130178413-A1 HCV NS3 PROTEASE INHIBITORS MSD ITALIA SRL (IT) 2013-07-11 — — US disclosed
US-20130178413-A1 HCV NS3 PROTEASE INHIBITORS MSD ITALIA SRL (IT) 2013-07-11 — — US disclosed
WO-2012040040-A1 HCV NS3 PROTEASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-03-29 — — 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 (6 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-20130178413-A1 HCV NS3 PROTEASE INHIBITORS HAVCR2, CTSC, GTF3C3 SMN1; SMN2 4494/4885ALDH1A1 1179/4885KDM4E 2898/4885
US-20190008858-A1 INHIBITORS OF HEPATITIS C VIRUS HAVCR2, SLC10A1, GOT1 SMN1; SMN2 4128/4885ALDH1A1 112/4885KDM4E 3280/4885
US-10603318-B2 Inhibitors of hepatitis C virus HAVCR2, SLC10A1, GOT1 SMN1; SMN2 4128/4885ALDH1A1 112/4885KDM4E 3280/4885
US-20140274884-A1 INHIBITORS OF HEPATITIS C VIRUS HAVCR2, SLC10A1, LIPC SMN1; SMN2 4556/4885ALDH1A1 200/4885KDM4E 2585/4885
US-10335409-B2 Inhibitors of hepatitis C virus HAVCR2, SLC10A1, GOT1 SMN1; SMN2 4128/4885ALDH1A1 112/4885KDM4E 3280/4885
US-20140017198-A1 INHIBITORS OF HEPATITIS C VIRUS HAVCR2, SLC10A1, GOT1 SMN1; SMN2 4128/4885ALDH1A1 112/4885KDM4E 3280/4885

“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.

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