SCHEMBL6801284

SCHEMBL6801284

CC1=Nc2ccccc2CN1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.44
ACHE P22303 6/20 0.43
BCHE P06276 3/20 0.43
MEN1 O00255 1/20 0.42
USP2 O75604 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
CYP3A4 P08684 1/20 0.42
KMT2A Q03164 1/20 0.42
CTSD P07339 1/20 0.41
PDE3B Q13370 1/20 0.41
PDE3A Q14432 1/20 0.41
NPC1 O15118 2/20 0.41
HPGD P15428 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HRH4 Q9H3N8 1/20 0.39
BRD4 O60885 1/20 0.39
CREBBP Q92793 1/20 0.39
NOS3 P29474 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
SCHEMBL11465349 0.81 NOS3 (0.44) SIGMAR1ACHEBCHEMEN1USP2
SCHEMBL28287115 0.80 SIGMAR1 (0.44) SIGMAR1ACHEBCHEMEN1USP2
SCHEMBL18895799 0.78 SIGMAR1 (0.61) SIGMAR1ACHEBCHEMEN1USP2
SCHEMBL14608794 0.78 SIGMAR1 (0.43) SIGMAR1ACHEBCHEMEN1USP2
SCHEMBL9541511 0.77 ALDH1A1 (0.41) SIGMAR1ACHEBCHEMEN1USP2
SCHEMBL9538960 0.76 SIGMAR1 (0.41) SIGMAR1ACHEBCHEMEN1USP2
SCHEMBL10620662 0.76 SIGMAR1 (0.67) SIGMAR1ACHEBCHEMEN1USP2
SCHEMBL18881645 0.76 SIGMAR1 (0.41) SIGMAR1ACHEBCHEMEN1USP2
SCHEMBL7856734 0.74 PDE3B (0.41) SIGMAR1ACHEBCHEMEN1USP2
Hydrochloric Acid SCHEMBL10918830 0.74 SIGMAR1 (0.47) SIGMAR1ACHEBCHEMEN1USP2

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 12 patents. 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-3492464-A1 INTERMEDIATES FOR PREPARING INHIBITORS OF HEPATITIS C VIRUS Gilead Sciences, Inc. (US) 2019-06-05 EP disclosed
US-20170290827-A1 INHIBITORS OF HEPATITIS C VIRUS GILEAD PHARMASSET LLC 2017-10-12 US disclosed
US-9655944-B2 Inhibitors of hepatitis C virus GILEAD SCIENCES, INC. (US) 2017-05-23 US disclosed
EP-3159345-A1 INHIBITORS OF HEPATITIS C VIRUS Gilead Sciences, Inc. (US) 2017-04-26 EP disclosed
US-20160361375-A1 INHIBITORS OF HEPATITIS C VIRUS GILEAD PHARMASSET LLC 2016-12-15 US disclosed
US-20150175655-A1 INHIBITORS OF HEPATITIS C VIRUS GILEAD PHARMASSET LLC 2015-06-25 US disclosed
WO-2014008285-A1 INHIBITORS OF HEPATITIS C VIRUS GILEAD SCIENCES, INC. (US) 2014-01-09 WO disclosed
US-20070015773-A1 Aryl nitrile compounds and compositions and their uses in treating inflammatory and related disorders AMGEN INC. 2007-01-18 US disclosed
US-6770647-B2 Bicyclic hydroxamates as inhibitors of matrix metalloproteinases and/or TNF-α converting enzyme (TACE) BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-08-03 US disclosed
US-20030130257-A1 Bicyclic hydroxamates as inhibitors of matrix metalloproteinases and/or TNF-alpha converting enzyme (TACE) BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-07-10 US disclosed
WO-2003016248-A2 BICYCLIC HYDROXAMATES AS INHIBITORS OF MATRIX METALLOPROTEINASES AND/OR TNF-$G(A) CONVERTING ENZYME (TACE) BRISTOL-MYERS SQUIBB COMPANY PATENT DEPARTMENT (US) 2003-02-27 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 (5 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-20030130257-A1 Bicyclic hydroxamates as inhibitors of matrix metalloproteinases and/or TNF-alpha converting enzyme (TACE) ADAMTS1, ADAM17, MMP1 SIGMAR1 3288/4885ACHE 1828/4885BCHE 131/4885
US-20150175655-A1 INHIBITORS OF HEPATITIS C VIRUS HAVCR2, SLC10A1, GOT1 SIGMAR1 923/4885ACHE 1171/4885BCHE 616/4885
US-20170290827-A1 INHIBITORS OF HEPATITIS C VIRUS HAVCR2, SLC10A1, GOT1 SIGMAR1 872/4885ACHE 982/4885BCHE 513/4885
US-20160361375-A1 INHIBITORS OF HEPATITIS C VIRUS HAVCR2, SLC10A1, GOT1 SIGMAR1 872/4885ACHE 982/4885BCHE 513/4885
US-20070015773-A1 Aryl nitrile compounds and compositions and their uses in treating inflammatory and related disorders CCR1, MSR1, CCR2 SIGMAR1 2460/4885ACHE 3268/4885BCHE 2791/4885

“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.