SCHEMBL4499485

SCHEMBL4499485

c1ccc2c(c1)cc1cc3cnccc3cn12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.38
HASPIN Q8TF76 2/20 0.38
TOP2A P11388 1/20 0.36
SLC6A2 P23975 2/20 0.36
CLK1 P49759 1/20 0.36
KDM4E B2RXH2 2/20 0.33
PRKCZ Q05513 1/20 0.33
TNF P01375 1/20 0.33
POLB P06746 1/20 0.33
HTT P42858 1/20 0.33
RAD52 P43351 1/20 0.33
IDO1 P14902 1/20 0.33
TDO2 P48775 1/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
MAPKAPK2 P49137 1/20 0.33

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
SCHEMBL4503239 0.93 MAPT (0.41) MAPTHASPINTOP2ASLC6A2CLK1
SCHEMBL4499694 0.82 KMT2A (0.35) MAPTKDM4EPOLBLMNA
SCHEMBL38659921 0.74 CYP19A1 (0.40) MAPTSLC6A2KDM4EIDO1CYP3A4
SCHEMBL4756741 0.74 CYP19A1 (0.40) MAPTSLC6A2KDM4EIDO1CYP3A4
SCHEMBL5509760 0.72 SLC6A2 (0.39) MAPTSLC6A2LMNACYP19A1
SCHEMBL445029 0.71 CLK1 (0.52) MAPTHASPINCLK1KDM4EPRKCZ
SCHEMBL13156540 0.69 CLK1 (0.50) MAPTHASPINCLK1KDM4EPRKCZ
SCHEMBL1512981 0.69 CLK1 (0.50) MAPTHASPINCLK1KDM4EPRKCZ
Methane SCHEMBL29190811 0.69 CLK1 (0.50) MAPTHASPINCLK1KDM4EPRKCZ
Charcoal, Activated SCHEMBL30641848 0.69 CLK1 (0.50) MAPTHASPINCLK1KDM4EPRKCZ

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 22 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-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
EP-1640021-A1 PREVENTIVE/REMEDY FOR URINARY DISTURBANCE Takeda Pharmaceutical Company Limited (JP) 2006-03-29 EP disclosed
US-20050197362-A1 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-09-08 US disclosed
EP-1466625-A1 PREVENTIVES/REMEDIES FOR URINARY DISTURBANCE Takeda Chemical Industries, Ltd. (JP) 2004-10-13 EP disclosed
US-20040116457-A1 Agents for improving excretory potency of urinary bladder TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-06-17 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
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 (7 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 MAPT 2484/4885HASPIN 823/4885TOP2A 3180/4885
US-20090264467-A1 Agents and crystals for improving excretory potency of urinary bladder ACHE, BCHE, PDE7A MAPT 1113/4885HASPIN 2231/4885TOP2A 744/4885
US-20020177593-A1 Agents and crystals for improving excretory potency of urinary bladder ACHE, BPHL, BCHE MAPT 1206/4885HASPIN 1973/4885TOP2A 1684/4885
US-20050197362-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, CHRM1 MAPT 1965/4885HASPIN 1473/4885TOP2A 1893/4885
US-20060281725-A1 Agents and crystals for improving excretory potency of urinary bladder ACHE, BCHE, PDE7A MAPT 1290/4885HASPIN 2487/4885TOP2A 684/4885
US-20060211675-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, ACE MAPT 1584/4885HASPIN 867/4885TOP2A 1443/4885
US-20030207863-A1 Preventives and remedies for central nervous system diseases UTS2R, PRSS12, CTSA MAPT 79/4885HASPIN 254/4885TOP2A 4504/4885

“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.