SCHEMBL4945927

SCHEMBL4945927

CC(Sc1nnc(-c2ccccn2)n1C)c1nc(-c2cccc(Cl)c2)no1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.48
NPC1 O15118 7/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
MAPT P10636 4/20 0.48
GRM5 P41594 3/20 0.48
TP53 P04637 3/20 0.48
TSHR P16473 2/20 0.48
MITF O75030 1/20 0.48
PKM P14618 1/20 0.48
MAPK1 P28482 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
DCTPP1 Q9H773 1/20 0.41
HTT P42858 2/20 0.41
LMNA P02545 2/20 0.41
PAX8 Q06710 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
ALDH1A1 P00352 3/20 0.39

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
SCHEMBL1544737 0.86 KCNH2 (0.52) NPC1SMN1; SMN2MAPTTP53TSHR
SCHEMBL1545438 0.84 ALDH1A1 (0.53) RAB9ASMN1; SMN2MAPTTP53TSHR
SCHEMBL1544582 0.83 MAPT (0.54) RAB9ANPC1SMN1; SMN2MAPTTP53
SCHEMBL5758618 0.73 GRM5 (0.53) RAB9ANPC1SMN1; SMN2MAPTGRM5
SCHEMBL5743001 0.73 OPRK1 (0.42) RAB9ANPC1SMN1; SMN2MAPTGRM5
SCHEMBL1544108 0.71 KCNH2 (0.52) NPC1MAPTGRM5TSHRMAPK1
SCHEMBL1544563 0.71 LMNA (0.59) SMN1; SMN2MAPTTP53TSHRHTT
SCHEMBL27788329 0.70 KCNH2 (0.40) RAB9ANPC1SMN1; SMN2MAPTGRM5
SCHEMBL1544620 0.70 KCNH2 (0.68) RAB9ANPC1SMN1; SMN2MAPTGRM5
SCHEMBL1543982 0.70 KCNH2 (0.48) RAB9ANPC1SMN1; SMN2MAPTTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005077345-A1 COMPOUNDS FOR THE TREATMENT OF GASTRO-ESOPHAGEAL REFLUX DISEASE ASTRAZENECA AB (SE) 2005-08-25 WO claimed
WO-2004014881-A2 '1,2,4'OXADIAZOLES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 ASTRA ZENECA AB (SE) 2004-02-19 WO claimed
US-20080015204-A1 ADDITIONAL HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2008-01-17 US disclosed
EP-1723144-A1 ADDITIONAL HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS AstraZeneca AB (SE) 2006-11-22 EP disclosed
WO-2006014185-A1 ADDITIONAL HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2006-02-09 WO disclosed
US-20040152699-A1 Compounds ASTRAZENECA AND NPS PHARMACEUTICALS, INC. 2004-08-05 US disclosed
WO-2004014881-A2 '1,2,4'OXADIAZOLES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 ASTRA ZENECA AB (SE) 2004-02-19 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 (2 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-20040152699-A1 Compounds SDHA, CYP11B2, CYP11B1 RAB9A 1283/4885NPC1 6/4885SMN1; SMN2 2060/4885
US-20080015204-A1 ADDITIONAL HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS GRM5, GRIK5, GRM2 RAB9A 1926/4885NPC1 554/4885SMN1; SMN2 1409/4885

“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.