SCHEMBL219434

SCHEMBL219434

c1ccc2sc(-c3cnccn3)nc2c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.67
RAB9A P51151 9/20 0.67
KDM4E B2RXH2 7/20 0.67
ALDH1A1 P00352 5/20 0.67
SMN1; SMN2 Q16637 4/20 0.67
TP53 P04637 2/20 0.67
HSD17B10 Q99714 2/20 0.67
TSHR P16473 1/20 0.67
CYP19A1 P11511 1/20 0.53
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
HTT P42858 2/20 0.49
PKM P14618 1/20 0.49
METAP2 P50579 1/20 0.47
ILK Q13418 1/20 0.47
MAPT P10636 3/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
GAA P10253 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
LMNA P02545 1/20 0.47

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
SCHEMBL29373464 1.00 NPC1 (0.67) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL221431 0.80 NPC1 (1.00) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL2958852 0.80 MIF (0.71) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL827403 0.77 RAB9A (0.67) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL30863871 0.76 RAB9A (1.00) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL221183 0.76 RAB9A (1.00) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL28618681 0.75 NPC1 (0.61) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
Hydrogen Sulfide SCHEMBL28205214 0.75 RAB9A (0.64) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
Methane SCHEMBL28056221 0.75 RAB9A (0.64) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
Hydrogen Sulfide SCHEMBL16859912 0.75 RAB9A (0.64) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2

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
CN-1958585-A Ruthenium(II)complexes of second generation DNA molecule optical switch, and preparation method BEIJING TEACHER S UNIV (CN) 2007-05-09 CN claimed
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
EP-2034997-A1 ANTIBACTERIAL COMPOSITIONS Prolysis Limited (GB) 2009-03-18 EP disclosed
WO-2007148093-A1 ANTIBACTERIAL COMPOSITIONS PROLYSIS LTD. (GB) 2007-12-27 WO disclosed
CN-1958585-A Ruthenium(II)complexes of second generation DNA molecule optical switch, and preparation method BEIJING TEACHER S UNIV (CN) 2007-05-09 CN 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 (3 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 NPC1 2581/4885RAB9A 3590/4885KDM4E 3843/4885
US-20090197877-A1 Antibacterial Compositions CYCS, COX6C, INTS6 NPC1 3471/4885RAB9A 3588/4885KDM4E 4304/4885
US-20110263590-A1 Antibacterial Compositions CYCS, COX6C, RPS6 NPC1 2378/4885RAB9A 3558/4885KDM4E 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.