SCHEMBL4500979

SCHEMBL4500979

c1ccc2c3nc4ccccc4c-3nccc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.53
NPC1 O15118 4/20 0.53
RAB9A P51151 4/20 0.53
MAPT P10636 4/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
KMT2A Q03164 2/20 0.53
GLA P06280 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
GPR55 Q9Y2T6 1/20 0.49
PLAU P00749 2/20 0.48
NCF1 P14598 2/20 0.48
CYP2A6 P11509 1/20 0.48
F12 P00748 1/20 0.48
NOS3 P29474 1/20 0.48
NOS1 P29475 1/20 0.48
NOS2 P35228 1/20 0.48
BACE1 P56817 1/20 0.48
TOP2A P11388 1/20 0.46
LMNA P02545 1/20 0.43
CFTR P13569 1/20 0.43

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
SCHEMBL199273 0.87 PLAU (0.60) KDM4ENPC1RAB9AMAPTL3MBTL1
SCHEMBL29923403 0.87 PLAU (0.60) KDM4ENPC1RAB9AMAPTL3MBTL1
SCHEMBL30522769 0.85 PLAU (0.58) KDM4ENPC1RAB9AMAPTL3MBTL1
SCHEMBL7954325 0.85 ADORA2A (0.56) KDM4ENPC1RAB9AMAPTL3MBTL1
SCHEMBL6761566 0.80 KDM4E (0.43) KDM4ENPC1RAB9AMAPTL3MBTL1
SCHEMBL29398625 0.79 KDM4E (0.66) KDM4ENPC1RAB9AMAPTL3MBTL1
SCHEMBL50715 0.79 KDM4E (0.66) KDM4ENPC1RAB9AMAPTL3MBTL1
SCHEMBL28466678 0.79 KDM4E (0.56) KDM4ENPC1RAB9AMAPTL3MBTL1
SCHEMBL12223316 0.79 PLAU (0.56) KDM4ENPC1RAB9AMAPTL3MBTL1
SCHEMBL13978866 0.79 PLAU (0.56) KDM4ENPC1RAB9AMAPTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8252814-B2 Agents and crystals for improving excretory potency of urinary bladder TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-08-28 US disclosed
US-20090264467-A1 Agents and crystals for improving excretory potency of urinary bladder ISHIHARA YUJI 2009-10-22 US disclosed
US-7462628-B2 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-09 US disclosed
EP-1891954-A2 Acetylcholinesterase inhibitors for improving excretory potency of urinary bladder Takeda Pharmaceutical Company Limited (JP) 2008-02-27 EP disclosed
US-20070232538-A1 Uses of polypeptides TAKEDA PHARMACEUTICAL COMPANY, LTD (JP) 2007-10-04 US disclosed
US-20070021391-A1 Preventive/remedy for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-01-25 US disclosed
US-20060281725-A1 Agents and crystals for improving excretory potency of urinary bladder ISIHARA YUJI 2006-12-14 US disclosed
US-7138533-B2 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-11-21 US disclosed
US-7132547-B2 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-11-07 US disclosed
US-20060211675-A1 Preventives/remedies for urinary disturbance ISHIHARA YUJI 2006-09-21 US disclosed
US-20040053826-A1 Uses of polypeptides TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-03-18 US disclosed
US-20030207863-A1 Preventives and remedies for central nervous system diseases TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2003-11-06 US disclosed
EP-1331010-A1 PREVENTIVES AND REMEDIES FOR CENTRAL NERVOUS SYSTEM DISEASES Takeda Chemical Industries, Ltd. (JP) 2003-07-30 EP disclosed
EP-1310490-A1 GPR14 ANTAGONIST Takeda Chemical Industries, Ltd. (JP) 2003-05-14 EP disclosed
EP-1308513-A1 USE OF POLYPEPTIDE Takeda Chemical Industries, Ltd. (JP) 2003-05-07 EP disclosed
US-6534496-B1 Prophylactic and/or therapeutic drug for obesity and obesity associated diseasestor diabetes with a reduced risk for central side effects and high universality in usage. Another object of the a lipolytic agent, or a prophylactic and/or TAKEDA CHEMICAL INDUSTRIES, INC. (JP) 2003-03-18 US disclosed
US-20020177593-A1 Agents and crystals for improving excretory potency of urinary bladder TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2002-11-28 US disclosed
EP-1118322-A1 DRUGS FOR IMPROVING VESICAL EXCRETORY STRENGTH Takeda Chemical Industries, Ltd. (JP) 2001-07-25 EP disclosed
US-5620973-A CHOLINESTERASE INHIBITOR; ALZHEIMER*S DISEASE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-04-15 US disclosed
EP-0655451-A1 Tetracyclic condensed heterocyclic compounds for the treatment of senile dementia TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-05-31 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 (8 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-20070021391-A1 Preventive/remedy for urinary disturbance ACHE, BCHE, CHAT KDM4E 3540/4885NPC1 2028/4885RAB9A 1896/4885
US-20090264467-A1 Agents and crystals for improving excretory potency of urinary bladder ACHE, BCHE, PDE7A KDM4E 562/4885NPC1 1992/4885RAB9A 763/4885
US-20020177593-A1 Agents and crystals for improving excretory potency of urinary bladder ACHE, BPHL, BCHE KDM4E 306/4885NPC1 1932/4885RAB9A 1071/4885
US-20070232538-A1 Uses of polypeptides NPSR1, SCTR, GRPR KDM4E 4438/4885NPC1 1752/4885RAB9A 1065/4885
US-20060281725-A1 Agents and crystals for improving excretory potency of urinary bladder ACHE, BCHE, PDE7A KDM4E 460/4885NPC1 2214/4885RAB9A 812/4885
US-20060211675-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, ACE KDM4E 3707/4885NPC1 2458/4885RAB9A 2823/4885
US-20040053826-A1 Uses of polypeptides NPSR1, SCTR, GRPR KDM4E 4438/4885NPC1 1752/4885RAB9A 1065/4885
US-20030207863-A1 Preventives and remedies for central nervous system diseases UTS2R, PRSS12, CTSA KDM4E 4866/4885NPC1 469/4885RAB9A 3039/4885

“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.