SCHEMBL4398029

SCHEMBL4398029

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 10/20 0.49
RAB9A P51151 10/20 0.49
HTT P42858 4/20 0.49
KDM4E B2RXH2 3/20 0.49
HSD17B10 Q99714 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49
BLM P54132 1/20 0.49
PAX8 Q06710 1/20 0.46
LMNA P02545 4/20 0.45
KMT2A Q03164 2/20 0.45
SMN1; SMN2 Q16637 7/20 0.44
MAPT P10636 6/20 0.44
TP53 P04637 5/20 0.44
ALDH1A1 P00352 4/20 0.44
TSHR P16473 1/20 0.44
KHK P50053 1/20 0.43
NR3C1 P04150 1/20 0.42
GRM1 Q13255 1/20 0.42
MEN1 O00255 1/20 0.41
HPGD P15428 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
SCHEMBL303854 0.88 RAB9A (0.44) NPC1RAB9AHTTKDM4EHSD17B10
SCHEMBL17582162 0.87 NPC1 (0.50) NPC1RAB9AHTTKDM4EHSD17B10
SCHEMBL304075 0.86 NR3C1 (0.50) NPC1RAB9AHTTKDM4EHSD17B10
SCHEMBL1773970 0.83 NR3C1 (0.45) NPC1RAB9AKDM4EHSD17B10BLM
SCHEMBL4401018 0.82 NPC1 (0.56) NPC1RAB9AHTTKDM4EHSD17B10
SCHEMBL304064 0.79 NR3C1 (0.47) HTTLMNASMN1; SMN2MAPTALDH1A1
SCHEMBL9609001 0.79 NR3C1 (0.44) KMT2ANR3C1MEN1
SCHEMBL22567150 0.79 NPC1 (0.46) NPC1RAB9AHTTKDM4EHSD17B10
SCHEMBL29368343 0.79 NPC1 (0.46) NPC1RAB9AHTTKDM4EHSD17B10
SCHEMBL303393 0.77 NPBWR1 (0.50) NPC1RAB9AHTTKDM4EHSD17B10

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 2681/4885HTT 4045/4885
US-20090111866-A1 Novel Compounds CCL11, MRGPRX2, LTB4R2 NPC1 451/4885RAB9A 2681/4885HTT 4045/4885
US-20100016331-A1 NOVEL COMPOUNDS TSLP, LTB4R2, LTB4R NPC1 733/4885RAB9A 3357/4885HTT 4612/4885

“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.