SCHEMBL569792

SCHEMBL569792

[NH]C(=O)Nc1cccc2ccccc12

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.69
GAA P10253 2/20 0.69
RAB9A P51151 4/20 0.62
NPC1 O15118 3/20 0.62
CYP1A2 P05177 2/20 0.62
CYP2C19 P33261 2/20 0.62
CYP3A4 P08684 1/20 0.62
CYP2D6 P10635 1/20 0.62
CYP2C9 P11712 1/20 0.62
MAPT P10636 2/20 0.61
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
CHRNB2 P17787 1/20 0.57
CHRNB4 P30926 1/20 0.57
CHRNA3 P32297 1/20 0.57
CHRNA4 P43681 1/20 0.57
ALDH1A1 P00352 2/20 0.56
POLB P06746 2/20 0.56
GSK3B P49841 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56

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
SCHEMBL6476392 0.89 KDM4E (0.56) KDM4EGAARAB9ANPC1CYP1A2
SCHEMBL30393282 0.83 KDM4E (0.82) KDM4EGAARAB9ANPC1CYP1A2
SCHEMBL1276481 0.83 KDM4E (0.82) KDM4EGAARAB9ANPC1CYP1A2
SCHEMBL6450246 0.83 KDM4E (0.62) KDM4EGAARAB9ANPC1CYP1A2
SCHEMBL11291466 0.83 NPC1 (0.79) KDM4EGAARAB9ANPC1CYP1A2
SCHEMBL79802 0.82 KDM4E (1.00) KDM4EGAARAB9ANPC1CYP1A2
SCHEMBL194474 0.82 KDM4E (0.71) KDM4EGAARAB9ANPC1CYP1A2
SCHEMBL194475 0.82 KDM4E (0.71) KDM4EGAARAB9ANPC1CYP1A2
SCHEMBL1273874 0.81 KDM4E (0.64) KDM4EGAARAB9ANPC1CYP1A2
SCHEMBL21914836 0.81 NPC1 (0.80) KDM4EGAARAB9ANPC1CYP1A2

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 98 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4838934-B2 2011-12-14 JP claimed
US-20060281725-A1 Agents and crystals for improving excretory potency of urinary bladder ISIHARA YUJI 2006-12-14 US claimed
EP-1044197-B1 PIPERIDINYL-SUBSTITUTED PYRIDYLALKANE, ALKENE AND ALKYNE CARBOXAMIDES AS CYTOSTATIC AGENTS AND IMMUNOSUPPRESSANTS ASTELLAS PHARMA GMBH (DE) 2006-04-19 EP claimed
EP-1604653-A1 Acetylcholinesterase inhibitors for improving excretory potency of urinary bladder Takeda Pharmaceutical Company Limited (JP) 2005-12-14 EP claimed
EP-1042291-B1 ARYL-SUBSTITUTED PYRIDYLALKANE, ALKENE, AND ALKINE CARBOXAMIDES USEFUL AS CYTOSTATIC AND IMMUNOSUPPRESSIVE AGENTS KLINGE CO CHEM PHARM FAB (DE) 2005-07-13 EP claimed
US-20040116457-A1 Agents for improving excretory potency of urinary bladder TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-06-17 US claimed
EP-1140895-B1 THIOPYRAN COMPOUNDS AS INHIBITORS OF MMP FUJISAWA PHARMACEUTICAL CO (JP) 2004-03-24 EP claimed
US-6593344-B1 These substances have especially high cytostatic activities and pronounced immunosuppressive properties which make them suitable for therapeutic treatment in broad tumor spectrum and autoimmune diseases KLINGE PHARMA GMBH (DE) 2003-07-15 US claimed
WO-2003018019-A2 NEW USE OF CYCLIC COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-03-06 WO claimed
US-20020177593-A1 Agents and crystals for improving excretory potency of urinary bladder TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2002-11-28 US claimed
EP-1140895-A2 THIOPYRAN COMPOUNDS AS INHIBITORS OF MMP FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-10-10 EP claimed
EP-1118322-A1 DRUGS FOR IMPROVING VESICAL EXCRETORY STRENGTH Takeda Chemical Industries, Ltd. (JP) 2001-07-25 EP claimed
EP-1044197-A2 NEW PIPERIDINYL-SUBSTITUTED PYRIDYLALKANE, ALKENE AND ALKINE CARBOXAMIDES Klinge Pharma GmbH (DE) 2000-10-18 EP claimed
EP-1042291-A1 ARYL-SUBSTITUTED PYRIDYLALKANE, ALKENE, AND ALKINE CARBOXAMIDES USEFUL AS CYTOSTATIC AND IMMUNOSUPPRESSIVE AGENTS Klinge Pharma GmbH (DE) 2000-10-11 EP claimed
WO-2000040576-A2 THIOPYRAN COMPOUNDS AS INHIBITORS OF MMP FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-07-13 WO claimed
WO-1999031060-A2 PIPERIDINYL-SUBSTITUTED PYRIDYLALKANE, ALKENE AND ALKINE CARBOXAMIDES AS CYTOSTATICS AND IMMUNESUPPRESSANTS KLINGE PHARMA GMBH (DE) 1999-06-24 WO claimed
WO-1999031064-A1 ARYL-SUBSTITUTED PYRIDYLALKANE, ALKENE, AND ALKINE CARBOXAMIDES USEFUL AS CYTOSTATIC AND IMMUNOSUPPRESSIVE AGENTS KLINGE PHARMA GMBH (DE) 1999-06-24 WO claimed
WO-1999023170-A1 TRIPHENDIOXAZINE COLORANTS BAYER AKTIENGESELLSCHAFT (DE) 1999-05-14 WO claimed
US-9029536-B2 Fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-05-12 US disclosed
EP-0123254-A1 Triazine derivatives, processes for preparation thereof and pharmaceutical compositions comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-10-31 EP 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-20020177593-A1 Agents and crystals for improving excretory potency of urinary bladder ACHE, BPHL, BCHE KDM4E 306/4885GAA 277/4885RAB9A 1071/4885
US-20060281725-A1 Agents and crystals for improving excretory potency of urinary bladder ACHE, BCHE, PDE7A KDM4E 460/4885GAA 194/4885RAB9A 812/4885

“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.