SCHEMBL10252727

SCHEMBL10252727

N[C@@H](CS)c1ncc(-c2ccc(-c3ccc(-c4cnc([C@@H](N)CS)[nH]4)cc3)cc2)[nH]1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NLN Q9BYT8 4/20 0.50
▸ SSTR1 P30872 1/20 0.46
▸ SCN10A Q9Y5Y9 4/20 0.44
▸ S1PR1 P21453 2/20 0.41
▸ S1PR4 O95977 1/20 0.41
▸ S1PR3 Q99500 1/20 0.41
▸ S1PR5 Q9H228 1/20 0.41
▸ PDE10A Q9Y233 1/20 0.39
▸ SCN5A Q14524 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
SCHEMBL13294155 0.74 SCN10A (0.42) NLNSSTR1SCN10ASCN5A
SCHEMBL10058115 0.74 SCN10A (0.42) NLNSSTR1SCN10ASCN5A
SCHEMBL16407731 0.72 SCN10A (0.44) NLNSCN10AS1PR1S1PR4S1PR3
SCHEMBL15116561 0.72 NLN (0.39) NLNSSTR1SCN10ASCN5A
SCHEMBL16836933 0.72 SSTR1 (0.62) NLNSSTR1SCN10APDE10A
SCHEMBL17323162 0.72 CNR1 (0.41) NLNSCN10ASCN5A
SCHEMBL18482470 0.70 SCN10A (0.41) NLNSCN10ASCN5A
SCHEMBL15116567 0.70 NLN (0.37) NLNSSTR1SCN10ASCN5A
SCHEMBL16355448 0.69 SCN10A (0.41) NLNSCN10ASCN5A
SCHEMBL19388182 0.68 SCN10A (0.53) NLNSSTR1SCN10ASCN5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8492553-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-07-23 — — US disclosed
US-20130034520-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-02-07 — — US disclosed
US-20130004457-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2013-01-03 — — US disclosed
US-20120328570-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2012-12-27 — — US disclosed
US-8329159-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-12-11 — — US disclosed
US-8303944-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-11-06 — — US disclosed
EP-2049116-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2012-02-29 — — EP disclosed
US-20110268697-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-11-03 — — US disclosed
US-7745636-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-06-29 — — US disclosed
US-20100158862-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2010-06-24 — — US disclosed
WO-2009102325-A1 IMIDAZOLYL BIPHENYL IMIDAZOLES AS HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-08-20 — — WO disclosed
WO-2009102318-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-08-20 — — WO disclosed
US-20090068140-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-03-12 — — US disclosed
US-20080299075-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2008-12-04 — — US disclosed
US-20080050336-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-02-28 — — US disclosed
WO-2008021936-A2 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-02-21 — — WO disclosed
WO-2008021928-A2 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-02-21 — — WO disclosed
WO-2008021927-A2 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-02-21 — — WO disclosed
US-20080044379-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-02-21 — — US disclosed
US-20080044380-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-02-21 — — 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 (10 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-20120328570-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS NLN 3435/4885SSTR1 4809/4885SCN10A 4625/4885
US-20130034520-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS NLN 3435/4885SSTR1 4809/4885SCN10A 4625/4885
US-20080050336-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS NLN 3435/4885SSTR1 4809/4885SCN10A 4625/4885
US-20090068140-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, PYGL, HCCS NLN 3435/4885SSTR1 4809/4885SCN10A 4625/4885
US-20080299075-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, PYGL, HCCS NLN 3435/4885SSTR1 4809/4885SCN10A 4625/4885
US-20080044379-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS NLN 3435/4885SSTR1 4809/4885SCN10A 4625/4885
US-20110268697-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS NLN 3435/4885SSTR1 4809/4885SCN10A 4625/4885
US-20130004457-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS NLN 3435/4885SSTR1 4809/4885SCN10A 4625/4885
US-20100158862-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS NLN 3435/4885SSTR1 4809/4885SCN10A 4625/4885
US-20080044380-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS NLN 3435/4885SSTR1 4809/4885SCN10A 4625/4885

“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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