SCHEMBL10223615

SCHEMBL10223615

O=C(Nc1ccc(-c2cc3cc(NC(=O)[C@@H]4CCCN4)ccc3o2)cc1)[C@@H]1CCCN1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCN3A Q9NY46 3/20 0.50
▸ SCN9A Q15858 2/20 0.50
▸ PSMB8 P28062 2/20 0.49
▸ DHODH Q02127 2/20 0.47
▸ ULK1 O75385 1/20 0.46
▸ JAK2 O60674 2/20 0.46
▸ PDGFRB P09619 2/20 0.46
▸ FLT3 P36888 2/20 0.46
▸ NPC1 O15118 2/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ IKBKB O14920 2/20 0.46
▸ AAK1 Q2M2I8 2/20 0.46
▸ KIT P10721 1/20 0.46
▸ PDGFRA P16234 1/20 0.46
▸ FLT1 P17948 1/20 0.46
▸ RPS6KB1 P23443 1/20 0.46
▸ JAK1 P23458 1/20 0.46
▸ TYK2 P29597 1/20 0.46
▸ FLT4 P35916 1/20 0.46
▸ KDR P35968 1/20 0.46

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
SCHEMBL12489758 0.84 SCN3A (0.57) SCN3ASCN9APSMB8DHODHULK1
SCHEMBL10173417 0.82 SCN3A (0.55) SCN3ASCN9APSMB8DHODHULK1
SCHEMBL10222766 0.81 ALDH1A1 (0.58) SCN3ASCN9ANPC1RAB9AKDM4E
SCHEMBL13388756 0.81 SCN3A (0.64) SCN3ASCN9APSMB8DHODHULK1
SCHEMBL14664044 0.79 SCN3A (0.58) SCN3ASCN9APSMB8DHODHULK1
SCHEMBL12489110 0.78 SCN3A (0.59) SCN3ASCN9APSMB8DHODHULK1
SCHEMBL14828738 0.78 SCN3A (0.59) SCN3ASCN9APSMB8DHODHULK1
SCHEMBL10913060 0.76 CYP1A2 (0.58) SCN3ASCN9APSMB8DHODHULK1
SCHEMBL2293435 0.76 CYP1A2 (0.58) SCN3ASCN9APSMB8DHODHULK1
SCHEMBL7187311 0.76 CYP1A2 (0.58) SCN3ASCN9APSMB8DHODHULK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220356182-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION MERCK SHARP & DOHME CORP. (US) 2022-11-10 — — US disclosed
US-11053243-B2 Inhibitors of hepatitis C virus replication MERCK SHARP & DOHME CORP. (US) 2021-07-06 — — US disclosed
US-20200262836-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION MERCK SHARP & DOHME CORP. (US) 2020-08-20 — — US disclosed
US-20190127365-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION MERCK SHARP & DOHME CORP. (US) 2019-05-02 — — US disclosed
US-20170008906-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION MERCK SHARP & DOHME CORP. (US) 2017-01-12 — — US disclosed
US-20150246917-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION MERCK SHARP & DOHME CORP. (US) 2015-09-03 — — US disclosed
US-9090661-B2 Inhibitors of hepatitis C virus replication MERCK SHARP & DOHME CORP. (US) 2015-07-28 — — US disclosed
US-20140371138-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION MERCK SHARP & DOHME CORP. (US) 2014-12-18 — — US disclosed
US-8871759-B2 Inhibitors of hepatitis C virus replication MERCK SHARP & DOHME CORP. (US) 2014-10-28 — — US disclosed
US-20120083483-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION MERCK SHARP & DOHME CORP (NJ) 2012-04-05 — — US 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 (8 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-20200262836-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION HAVCR2, HCCS, EIF2AK2 SCN3A 4477/4885SCN9A 4479/4885PSMB8 985/4885
US-20120083483-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION HAVCR2, HCCS, EIF2AK2 SCN3A 4477/4885SCN9A 4479/4885PSMB8 985/4885
US-20140371138-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION HAVCR2, HCCS, EIF2AK2 SCN3A 4477/4885SCN9A 4479/4885PSMB8 985/4885
US-20170008906-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION HAVCR2, HCCS, EIF2AK2 SCN3A 4477/4885SCN9A 4479/4885PSMB8 985/4885
US-20150246917-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION HAVCR2, HCCS, EIF2AK2 SCN3A 4477/4885SCN9A 4479/4885PSMB8 985/4885
US-11053243-B2 Inhibitors of hepatitis C virus replication HAVCR2, HCCS, EIF2AK2 SCN3A 4477/4885SCN9A 4479/4885PSMB8 985/4885
US-20190127365-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION HAVCR2, HCCS, EIF2AK2 SCN3A 4477/4885SCN9A 4479/4885PSMB8 985/4885
US-20220356182-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION HAVCR2, HCCS, EIF2AK2 SCN3A 4477/4885SCN9A 4479/4885PSMB8 985/4885

“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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