SCHEMBL4498650

SCHEMBL4498650

c1ccc2c(c1)cn1c3ncccc3cnc21

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.44
KDM4D Q6B0I6 1/20 0.42
ALDH1A1 P00352 4/20 0.40
HPGD P15428 1/20 0.40
CYP3A4 P08684 1/20 0.38
MAOB P27338 3/20 0.37
MAOA P21397 1/20 0.37
DYRK1A Q13627 2/20 0.36
GPR3 P46089 1/20 0.36
LDHA P00338 1/20 0.34
CYP2C19 P33261 2/20 0.34
TSHR P16473 1/20 0.34
HTR6 P50406 1/20 0.34
NPC1 O15118 2/20 0.33
CYP11B2 P19099 1/20 0.33
LMNA P02545 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
SCHEMBL4499403 0.79 KDM4E (0.38) KDM4EALDH1A1HPGDGPR3NPC1
SCHEMBL21917740 0.76 KDM4E (0.40) KDM4EALDH1A1HPGDCYP3A4DYRK1A
SCHEMBL21297873 0.72 ALDH1A1 (0.38) KDM4EALDH1A1HPGDCYP3A4DYRK1A
SCHEMBL21298099 0.72 DYRK1A (0.40) KDM4EALDH1A1HPGDCYP3A4DYRK1A
SCHEMBL21298396 0.70 CYP3A4 (0.40) KDM4EALDH1A1HPGDCYP3A4DYRK1A
SCHEMBL21298302 0.70 CYP3A4 (0.40) KDM4EALDH1A1HPGDCYP3A4DYRK1A
SCHEMBL11212810 0.69 ALDH1A1 (0.46) KDM4EALDH1A1HPGDCYP3A4DYRK1A
SCHEMBL29511743 0.68 KDM4E (0.40) KDM4EKDM4DALDH1A1HPGDCYP3A4
SCHEMBL4863127 0.67 PDE10A (0.44) KDM4EALDH1A1HPGDCYP3A4MAOB
SCHEMBL12759645 0.66 PDE3B (0.49) KDM4EALDH1A1HPGDCYP3A4DYRK1A

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 3540/4885KDM4D 2417/4885ALDH1A1 346/4885
US-20090264467-A1 Agents and crystals for improving excretory potency of urinary bladder ACHE, BCHE, PDE7A KDM4E 562/4885KDM4D 311/4885ALDH1A1 1143/4885
US-20020177593-A1 Agents and crystals for improving excretory potency of urinary bladder ACHE, BPHL, BCHE KDM4E 306/4885KDM4D 157/4885ALDH1A1 1185/4885
US-20070232538-A1 Uses of polypeptides NPSR1, SCTR, GRPR KDM4E 4438/4885KDM4D 4173/4885ALDH1A1 3946/4885
US-20060281725-A1 Agents and crystals for improving excretory potency of urinary bladder ACHE, BCHE, PDE7A KDM4E 460/4885KDM4D 208/4885ALDH1A1 1245/4885
US-20060211675-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, ACE KDM4E 3707/4885KDM4D 2950/4885ALDH1A1 212/4885
US-20040053826-A1 Uses of polypeptides NPSR1, SCTR, GRPR KDM4E 4438/4885KDM4D 4173/4885ALDH1A1 3946/4885
US-20030207863-A1 Preventives and remedies for central nervous system diseases UTS2R, PRSS12, CTSA KDM4E 4866/4885KDM4D 4860/4885ALDH1A1 3567/4885

“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.