SCHEMBL4088281

SCHEMBL4088281

Brc1ccc(OCc2cscn2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 5/20 0.47
SLC6A2 P23975 2/20 0.47
SLC6A4 P31645 1/20 0.47
NPC1 O15118 5/20 0.43
RAB9A P51151 5/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
APP P05067 1/20 0.43
KDM4E B2RXH2 1/20 0.43
LTA4H P09960 1/20 0.40
ALOX5 P09917 1/20 0.40
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
KMT2A Q03164 2/20 0.39
MRGPRX4 Q96LA9 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
MAOB P27338 1/20 0.38

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
SCHEMBL4834177 0.82 MAOB (0.46) NPC1RAB9ASMN1; SMN2APPLTA4H
SCHEMBL1928127 0.80 MAOB (0.54) SLC6A3SLC6A2SLC6A4NPC1RAB9A
SCHEMBL5228979 0.79 LTA4H (0.38) SLC6A3SLC6A2SLC6A4NPC1RAB9A
SCHEMBL8800604 0.78 ALDH1A1 (0.56) SLC6A3NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL1118117 0.78 ALOX5 (0.40) SLC6A3NPC1RAB9ASMN1; SMN2LTA4H
SCHEMBL14139631 0.76 PTGS2 (0.44) SLC6A3ALOX5CA12CA1CA2
SCHEMBL4825951 0.76 LMNA (0.61) RAB9AKMT2ACA12CA1CA2
SCHEMBL7671813 0.74 NPC1 (0.44) NPC1RAB9ASMN1; SMN2APPKDM4E
SCHEMBL1928819 0.73 ALOX5 (0.47) NPC1RAB9ASMN1; SMN2LTA4HALOX5
SCHEMBL16705281 0.71 POLB (0.52) KMT2AALDH1A1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090181962-A1 Substituted thiophene compounds ASTRAZENECA AB, A SWEDEN CORPORATION 2009-07-16 US disclosed
US-7358376-B2 Substituted Thiophene compounds ASTRAZENECA AB (SE) 2008-04-15 US disclosed
EP-1261600-B1 HETEROAROMATIC CARBOXAMIDE DERIVATIVES AND THEIR USE AS INHIBITORS OF THE ENZYME IKK-2 ASTRAZENECA AB (SE) 2004-05-06 EP disclosed
EP-1261600-A1 HETEROAROMATIC CARBOXAMIDE DERIVATIVES AND THEIR USE AS INHIBITORS OF THE ENZYME IKK-2 AstraZeneca AB (SE) 2002-12-04 EP disclosed
US-20020107252-A1 Novel Compounds ASTRAZENECA AB (SE) 2002-08-08 US disclosed
WO-2001058890-A1 HETEROAROMATIC CARBOXAMIDE DERIVATIVES AND THEIR USE AS INHIBITORS OF THE ENZYME IKK-2 ASTRAZENECA AB (SE) 2001-08-16 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-20090181962-A1 Substituted thiophene compounds ABCG2, SULT1E1, TPMT SLC6A3 2112/4885SLC6A2 1917/4885SLC6A4 1458/4885
US-20020107252-A1 Novel Compounds UGT1A1, CYP1B1, CYP1A1 SLC6A3 4149/4885SLC6A2 3490/4885SLC6A4 3607/4885

“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.