SCHEMBL5779574

SCHEMBL5779574

Clc1cc2[nH]c(Cl)nc2cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.39
GABRP O00591 1/20 0.38
GABRD O14764 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRB1 P18505 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38
GABRA2 P47869 1/20 0.38
GABRB2 P47870 1/20 0.38
GABRA4 P48169 1/20 0.38
GABRE P78334 1/20 0.38
GABRA6 Q16445 1/20 0.38
GABRG1 Q8N1C3 1/20 0.38
GABRG3 Q99928 1/20 0.38
GABRQ Q9UN88 1/20 0.38
ALDH1A1 P00352 3/20 0.34
RAB9A P51151 2/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL20679621 0.80 NPC1 (0.37) NPC1GABRPGABRDGABRA1GABRB1
SCHEMBL8264532 0.80 ALDH1A1 (0.55) NPC1GABRPGABRDGABRA1GABRB1
SCHEMBL30675604 0.80 NPC1 (0.37) NPC1GABRPGABRDGABRA1GABRB1
SCHEMBL24549495 0.77 HSD17B10 (0.40) NPC1ALDH1A1RAB9AKDM4EHTT
SCHEMBL23994506 0.76 HSD17B10 (0.54) NPC1GABRPGABRDGABRA1GABRB1
SCHEMBL9693837 0.73 NPC1 (0.64) NPC1ALDH1A1RAB9AKDM4EHTT
SCHEMBL3425380 0.73 GABRP (0.38) NPC1GABRPGABRDGABRA1GABRB1
SCHEMBL21541889 0.72 MAPKAPK2 (0.47) NPC1GABRPGABRDGABRA1GABRB1
SCHEMBL10612037 0.71 NPC1 (0.34) NPC1ALDH1A1RAB9AKDM4EHPGD
SCHEMBL577623 0.71 GAA (0.57) NPC1RAB9AHTTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1472254-A4 PURINE AND ISOSTERIC ANTIBACTERIAL COMPOUNDS GLSYNTHESIS INC (US) 2006-02-15 EP disclosed
US-6926763-B2 Purine and isosteric antibacterial compounds GLSYNTHESIS, INC. (US) 2005-08-09 US disclosed
EP-1472254-A2 PURINE AND ISOSTERIC ANTIBACTERIAL COMPOUNDS Glsynthesis Inc. (US) 2004-11-03 EP disclosed
US-20040014773-A1 Purine and isosteric antibacterial compounds ACURX PHARMACEUTICALS, LLC 2004-01-22 US disclosed
WO-2003066586-A2 PURINE AND ISOSTERIC ANTIBACTERIAL COMPOUNDS GLSYNTHESIS INC. (US) 2003-08-14 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 (1 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-20040014773-A1 Purine and isosteric antibacterial compounds MTAP, AMPD3, MPG NPC1 3082/4885GABRP 2360/4885GABRD 3012/4885

“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.