SCHEMBL4499072

SCHEMBL4499072

C1=C2C(=Nc3ccccc32)c2ccncc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 1/20 0.46
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
IDO1 P14902 1/20 0.36
LMNA P02545 2/20 0.32
MAPT P10636 2/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
APAF1 O14727 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32
TSHR P16473 1/20 0.32
HK1 P19367 1/20 0.32
GALK1 P51570 1/20 0.32
KMT2A Q03164 1/20 0.32
HKDC1 Q2TB90 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL4510312 0.88 ABCG2 (0.45) ABCG2MAOAMAOBIDO1LMNA
SCHEMBL30019213 0.83 ABCG2 (0.62) ABCG2IDO1LMNAMAPTGAA
SCHEMBL261676 0.83 ABCG2 (0.62) ABCG2IDO1LMNAMAPTGAA
SCHEMBL8794054 0.74 MAOA (0.35) ABCG2MAOAMAOBTNF
SCHEMBL7464999 0.70 ABCG2 (0.55) ABCG2IDO1LMNAMAPTKDM4E
SCHEMBL4507290 0.70 ABCG2 (0.37) ABCG2IDO1LMNAMAPTGAA
Hydrochloric Acid SCHEMBL4458472 0.68 ABCG2 (0.39) ABCG2IDO1LMNAMAPTKDM4E
Hydrochloric Acid SCHEMBL4458466 0.66 ABCG2 (0.66) ABCG2IDO1
SCHEMBL1820364 0.66 ABCG2 (0.40) ABCG2IDO1LMNAMAPTKDM4E
SCHEMBL1899426 0.66 ABCG2 (0.40) ABCG2IDO1LMNAMAPTKDM4E

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 26 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-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-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 (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 ABCG2 633/4885MAOA 88/4885MAOB 53/4885
US-20090264467-A1 Agents and crystals for improving excretory potency of urinary bladder ACHE, BCHE, PDE7A ABCG2 40/4885MAOA 109/4885MAOB 207/4885
US-20020177593-A1 Agents and crystals for improving excretory potency of urinary bladder ACHE, BPHL, BCHE ABCG2 104/4885MAOA 155/4885MAOB 259/4885
US-20070232538-A1 Uses of polypeptides NPSR1, SCTR, GRPR ABCG2 2204/4885MAOA 1801/4885MAOB 1973/4885
US-20060211675-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, ACE ABCG2 755/4885MAOA 54/4885MAOB 108/4885
US-20040053826-A1 Uses of polypeptides NPSR1, SCTR, GRPR ABCG2 2204/4885MAOA 1801/4885MAOB 1973/4885
US-20030207863-A1 Preventives and remedies for central nervous system diseases UTS2R, PRSS12, CTSA ABCG2 2104/4885MAOA 700/4885MAOB 944/4885

“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.