SCHEMBL3277153

SCHEMBL3277153

c1ccc2c(c1)cnc1ccsc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.53
GPR3 P46089 1/20 0.53
AXL P30530 1/20 0.40
MKNK1 Q9BUB5 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40
PDPK1 O15530 1/20 0.38
PARP1 P09874 1/20 0.38
PDE4A P27815 2/20 0.37
PDE4B Q07343 2/20 0.37
PDE4C Q08493 2/20 0.37
PDE4D Q08499 2/20 0.37
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37
RAB9A P51151 3/20 0.36
NPC1 O15118 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MAPT P10636 2/20 0.36
LMNA P02545 1/20 0.36
RECQL P46063 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL8598227 0.77 KDM4E (0.53) KDM4EGPR3PDPK1RAB9ANPC1
SCHEMBL8570253 0.75 AXL (0.45) KDM4EAXLMKNK1MKNK2PDPK1
SCHEMBL377324 0.72 KDM4E (0.56) KDM4EAXLMKNK1MKNK2PDPK1
SCHEMBL3803974 0.72 KDM4E (0.52) KDM4EGPR3RAB9ASMN1; SMN2MAPT
SCHEMBL29871387 0.71 CYP3A4 (0.47) KDM4EGPR3RAB9ANPC1SMN1; SMN2
SCHEMBL28026979 0.71 KDM4E (0.55) KDM4EAXLMKNK1MKNK2PDPK1
SCHEMBL2852558 0.71 CYP3A4 (0.47) KDM4EGPR3RAB9ANPC1SMN1; SMN2
Phenanthridine SCHEMBL30914262 0.70 GPR3 (1.00) KDM4EGPR3PDPK1RAB9ANPC1
Phenanthridine SCHEMBL8666 0.70 GPR3 (1.00) KDM4EGPR3PDPK1RAB9ANPC1
Phenanthridine SCHEMBL30823553 0.70 GPR3 (1.00) KDM4EGPR3PDPK1RAB9ANPC1

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
CN-104211926-A Donor material used for polymer solar battery, and polymerization monomer thereof NAT CT NANOSCIENCE NCNST CHINA 2014-12-17 CN disclosed
US-7696221-B2 Thienoisoquinoline-phenylsulfonamides and their use as ER-NFκB inhibitors WYETH LLC (US) 2010-04-13 US disclosed
US-7696221-B2 Thienoisoquinoline-phenylsulfonamides and their use as ER-NFκB inhibitors WYETH LLC (US) 2010-04-13 US disclosed
US-7696221-B2 Thienoisoquinoline-phenylsulfonamides and their use as ER-NFκB inhibitors WYETH LLC (US) 2010-04-13 US disclosed
US-20060154875-A1 Thienoisoquinoline-phenylsulfonamides and their use as ER-NFkappaB inhibitors WYETH (US) 2006-07-13 US disclosed
WO-2006069182-A2 THIENOISOQUINOLINE-PHENYLSULFONAMIDES AND THEIR USE AS ER-NFkB INHIBITORS WYETH (US) 2006-06-29 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 (1 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-20060154875-A1 Thienoisoquinoline-phenylsulfonamides and their use as ER-NFkappaB inhibitors NFKBIA, IKBKB, IKBKE KDM4E 538/4885GPR3 962/4885AXL 1459/4885

“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.