SCHEMBL221183

SCHEMBL221183

c1cncc(-c2nc3ccccc3s2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 1.00
NPC1 O15118 7/20 1.00
KDM4E B2RXH2 6/20 0.67
ILK Q13418 2/20 0.61
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
ALDH1A1 P00352 4/20 0.56
LMNA P02545 2/20 0.56
MAPT P10636 2/20 0.56
GLA P06280 2/20 0.56
GAA P10253 2/20 0.56
APP P05067 2/20 0.56
MMP9 P14780 1/20 0.56
MMP8 P22894 1/20 0.56
SMN1; SMN2 Q16637 3/20 0.55
NFKB1 P19838 2/20 0.55
NFKB2 Q00653 2/20 0.55
RELA Q04206 2/20 0.55
TP53 P04637 2/20 0.55
HSD17B10 Q99714 2/20 0.55

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
SCHEMBL30863871 1.00 RAB9A (1.00) RAB9ANPC1KDM4EILKMEN1
SCHEMBL12232096 0.91 RAB9A (0.82) RAB9ANPC1KDM4EILKMEN1
SCHEMBL12232074 0.91 RAB9A (0.82) RAB9ANPC1KDM4EILKMEN1
SCHEMBL12232072 0.91 RAB9A (0.82) RAB9ANPC1KDM4EILKMEN1
SCHEMBL24331801 0.88 RAB9A (0.78) RAB9ANPC1KDM4EILKMEN1
SCHEMBL12232073 0.88 RAB9A (0.78) RAB9ANPC1KDM4EILKMEN1
SCHEMBL24332173 0.88 RAB9A (0.78) RAB9ANPC1KDM4EILKMEN1
SCHEMBL20519963 0.86 RAB9A (0.76) RAB9ANPC1KDM4EILKALDH1A1
SCHEMBL12232103 0.85 RAB9A (0.74) RAB9ANPC1KDM4EILKMEN1
SCHEMBL2482351 0.84 RAB9A (0.72) RAB9ANPC1KDM4EILKMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230136718-A1 FUNCTIONALIZED LIPOSOMES FOR IMAGING MISFOLDED PROTEINS Alzeca Biosciences, LLC (US) 2023-05-04 US disclosed
US-20230136718-A1 FUNCTIONALIZED LIPOSOMES FOR IMAGING MISFOLDED PROTEINS Alzeca Biosciences, LLC (US) 2023-05-04 US disclosed
US-20200261605-A1 FUNCTIONALIZED LIPOSOMES FOR IMAGING MISFOLDED PROTEINS Alzeca Biosciences, LLC 2020-08-20 US disclosed
CN-103450111-B Green synthesis method of benzothiazole heterocyclic compound UNIV WENZHOU 2015-07-08 CN disclosed
CN-103304507-B Green method for preparing heterocyclic compounds from nitriles UNIV WENZHOU 2015-02-25 CN disclosed
CN-103450111-A Green synthesis method of benzothiazole heterocyclic compound UNIV WENZHOU 2013-12-18 CN disclosed
CN-103304507-A Green method for preparing heterocyclic compounds from nitriles UNIV WENZHOU 2013-09-18 CN disclosed
US-8481544-B2 Antibacterial compositions BIOTA EUROPE LIMITED (GB) 2013-07-09 US disclosed
US-8389516-B2 Antibacterial compositions BIOTA EUROPE LIMITED (GB) 2013-03-05 US disclosed
US-20120004221-A1 Antibacterial Compositions BIOTA EUROPE LIMITED (GB) 2012-01-05 US disclosed
US-20110263590-A1 Antibacterial Compositions BIOTA EUROPE LIMITED (GB) 2011-10-27 US disclosed
US-7977340-B2 Antibacterial compositions PROLYSIS LTD. (GB) 2011-07-12 US disclosed
US-20090197877-A1 Antibacterial Compositions PROLYSIS LTD. (GB) 2009-08-06 US disclosed
US-3985885-A ANTHELMINTIC AGENTS E. R. SQUIBB & SONS, INC. (US) 1976-10-12 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 (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-20120004221-A1 Antibacterial Compositions CYCS, COX6C, RPS6 RAB9A 3590/4885NPC1 2581/4885KDM4E 3843/4885
US-20090197877-A1 Antibacterial Compositions CYCS, COX6C, INTS6 RAB9A 3588/4885NPC1 3471/4885KDM4E 4304/4885
US-20230136718-A1 FUNCTIONALIZED LIPOSOMES FOR IMAGING MISFOLDED PROTEINS APBA1, LYPLAL1, APOL1 RAB9A 1846/4885NPC1 645/4885KDM4E 2843/4885
US-20200261605-A1 FUNCTIONALIZED LIPOSOMES FOR IMAGING MISFOLDED PROTEINS APBA1, LYPLAL1, APOL1 RAB9A 1846/4885NPC1 645/4885KDM4E 2843/4885
US-20110263590-A1 Antibacterial Compositions CYCS, COX6C, RPS6 RAB9A 3558/4885NPC1 2378/4885KDM4E 3936/4885

“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.