SCHEMBL4092093

SCHEMBL4092093

COC(=O)c1sc(-c2ccccc2OC)cc1N

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.59
KDM4E B2RXH2 6/20 0.59
NPC1 O15118 4/20 0.59
IKBKB O14920 3/20 0.59
RAB9A P51151 3/20 0.56
CASP3 P42574 2/20 0.56
SENP8 Q96LD8 2/20 0.56
SENP7 Q9BQF6 2/20 0.56
SENP6 Q9GZR1 2/20 0.56
TUBB4A P04350 6/20 0.54
TUBB P07437 6/20 0.54
TUBA3C P0DPH7 6/20 0.54
TUBA1B P68363 6/20 0.54
TUBA4A P68366 6/20 0.54
TUBB4B P68371 6/20 0.54
TUBB3 Q13509 6/20 0.54
TUBB2A Q13885 6/20 0.54
TUBB8 Q3ZCM7 6/20 0.54
TUBA3E Q6PEY2 6/20 0.54
TUBA1A Q71U36 6/20 0.54

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
SCHEMBL4089054 0.87 IKBKB (0.64) MAPTKDM4EIKBKBTUBB4ATUBB
SCHEMBL4082672 0.87 TUBB4A (0.55) MAPTKDM4ENPC1IKBKBRAB9A
SCHEMBL15741576 0.87 MAPT (0.67) MAPTKDM4ENPC1IKBKBRAB9A
SCHEMBL4088214 0.83 TUBB4A (0.63) MAPTKDM4ENPC1IKBKBRAB9A
SCHEMBL30702063 0.83 TUBB4A (0.63) MAPTKDM4ENPC1IKBKBRAB9A
SCHEMBL23452099 0.83 IKBKB (0.62) MAPTKDM4EIKBKBL3MBTL1APP
SCHEMBL16689466 0.81 GAA (0.66) MAPTKDM4EIKBKBRAB9ATUBB4A
SCHEMBL431794 0.80 MAPT (0.74) MAPTKDM4ENPC1IKBKBRAB9A
Hydrochloric Acid SCHEMBL8864118 0.78 MAPT (0.72) MAPTKDM4ENPC1IKBKBRAB9A
SCHEMBL1383955 0.76 IKBKB (0.82) KDM4ENPC1IKBKBRAB9AAPP

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 MAPT 2469/4885KDM4E 652/4885NPC1 1559/4885
US-20020107252-A1 Novel Compounds UGT1A1, CYP1B1, CYP1A1 MAPT 2580/4885KDM4E 1332/4885NPC1 498/4885

“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.