SCHEMBL4503596

SCHEMBL4503596

C1=Cn2c(cc3ccccc32)-c2ccccc2N=C1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
RECQL P46063 1/20 0.36

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
SCHEMBL4503588 1.00 KMT2A (0.36) KMT2AKDM4EMEN1ALDH1A1MAPT
SCHEMBL4829875 0.68 KMT2A (0.36) KMT2AKDM4EMEN1ALDH1A1MAPT
SCHEMBL732858 0.66 KMT2A (0.37) KMT2AKDM4EMEN1ALDH1A1MAPT
SCHEMBL4829868 0.66 KMT2A (0.37) KMT2AKDM4EMEN1ALDH1A1MAPT
SCHEMBL4826623 0.64 KMT2A (0.33) KMT2AKDM4EMEN1ALDH1A1MAPT
SCHEMBL51324 0.64 KMT2A (0.38) KMT2AKDM4EMEN1ALDH1A1MAPT
SCHEMBL4502785 0.64 ALKBH5 (0.35)
SCHEMBL3203383 0.64 NOTUM (0.37)
SCHEMBL3986119 0.63 KMT2A (0.35) KMT2AKDM4EMEN1ALDH1A1MAPT
SCHEMBL3986116 0.63 KMT2A (0.35) KMT2AKDM4EMEN1ALDH1A1MAPT

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 KMT2A 2626/4885KDM4E 3540/4885MEN1 2903/4885
US-20090264467-A1 Agents and crystals for improving excretory potency of urinary bladder ACHE, BCHE, PDE7A KMT2A 1919/4885KDM4E 562/4885MEN1 3293/4885
US-20020177593-A1 Agents and crystals for improving excretory potency of urinary bladder ACHE, BPHL, BCHE KMT2A 1482/4885KDM4E 306/4885MEN1 3760/4885
US-20070232538-A1 Uses of polypeptides NPSR1, SCTR, GRPR KMT2A 2960/4885KDM4E 4438/4885MEN1 4302/4885
US-20060281725-A1 Agents and crystals for improving excretory potency of urinary bladder ACHE, BCHE, PDE7A KMT2A 1771/4885KDM4E 460/4885MEN1 3303/4885
US-20060211675-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, ACE KMT2A 1894/4885KDM4E 3707/4885MEN1 3753/4885
US-20040053826-A1 Uses of polypeptides NPSR1, SCTR, GRPR KMT2A 2960/4885KDM4E 4438/4885MEN1 4302/4885
US-20030207863-A1 Preventives and remedies for central nervous system diseases UTS2R, PRSS12, CTSA KMT2A 3443/4885KDM4E 4866/4885MEN1 904/4885

“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.