SCHEMBL4401018

SCHEMBL4401018

Cc1cccc(-n2ncc3c(N)cc(C)cc32)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.56
RAB9A P51151 9/20 0.56
KDM4E B2RXH2 4/20 0.56
HSD17B10 Q99714 3/20 0.56
HTT P42858 2/20 0.56
BLM P54132 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
KMT2A Q03164 2/20 0.51
KHK P50053 1/20 0.49
ALDH1A1 P00352 3/20 0.48
PAX8 Q06710 1/20 0.46
LMNA P02545 4/20 0.45
TP53 P04637 5/20 0.44
SMN1; SMN2 Q16637 5/20 0.44
MAPT P10636 4/20 0.44
TSHR P16473 1/20 0.44
NR3C1 P04150 1/20 0.42
GRM1 Q13255 1/20 0.42
HPGD P15428 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41

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
SCHEMBL304081 0.88 RAB9A (0.47) NPC1RAB9AKDM4EHSD17B10HTT
SCHEMBL1776385 0.84 MAPT (0.46) NPC1RAB9AKDM4EHSD17B10HTT
SCHEMBL4398029 0.82 NPC1 (0.49) NPC1RAB9AKDM4EHSD17B10HTT
SCHEMBL9609077 0.81 NR3C1 (0.46) NPC1RAB9AKDM4EHSD17B10HTT
SCHEMBL1775488 0.81 NR3C1 (0.48) RAB9AKMT2AALDH1A1TP53MAPT
SCHEMBL476841 0.79 NR3C1 (0.47) NPC1RAB9AKDM4EHTTKMT2A
SCHEMBL22567200 0.79 NPC1 (0.52) NPC1RAB9AKDM4EHSD17B10HTT
SCHEMBL13884763 0.78 NR3C1 (0.44) NPC1RAB9AKDM4EHSD17B10HTT
Hydrochloric Acid SCHEMBL29368307 0.78 NPC1 (0.51) NPC1RAB9AKDM4EHSD17B10HTT
Hydrochloric Acid SCHEMBL22559644 0.78 NPC1 (0.51) NPC1RAB9AKDM4EHSD17B10HTT

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
US-8178573-B2 Compounds GLAXO GROUP LIMITED (GB) 2012-05-15 US disclosed
US-7943651-B2 Compounds GLAXO GROUP LIMITED (GB) 2011-05-17 US disclosed
US-20100016331-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-01-21 US disclosed
US-20090111866-A1 Novel Compounds GLAXO WELLCOME HOUSE (GB) 2009-04-30 US disclosed
US-20070265326-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2007-11-15 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 (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-20070265326-A1 NOVEL COMPOUNDS CCL11, MRGPRX2, LTB4R2 NPC1 451/4885RAB9A 2681/4885KDM4E 3614/4885
US-20090111866-A1 Novel Compounds CCL11, MRGPRX2, LTB4R2 NPC1 451/4885RAB9A 2681/4885KDM4E 3614/4885
US-20100016331-A1 NOVEL COMPOUNDS TSLP, LTB4R2, LTB4R NPC1 733/4885RAB9A 3357/4885KDM4E 3491/4885

“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.