SCHEMBL4503571

SCHEMBL4503571

c1ccc2c3nc4ccccc4c-3occ2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.38
ALDH1A1 P00352 4/20 0.38
HPGD P15428 3/20 0.38
CASP1 P29466 3/20 0.38
CASP7 P55210 3/20 0.38
HSD17B10 Q99714 3/20 0.38
TDP1 Q9NUW8 3/20 0.38
MAOA P21397 2/20 0.38
GLA P06280 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CHRM2 P08172 1/20 0.38
ADRA2A P08913 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
CHRM1 P11229 1/20 0.38
NQO2 P16083 1/20 0.38
DRD1 P21728 1/20 0.38
ACHE P22303 1/20 0.38
SLC6A2 P23975 1/20 0.38
ADRA1A P35348 1/20 0.38
OPRM1 P35372 1/20 0.38

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
SCHEMBL4501192 0.87 CLK1 (0.40) KDM4EALDH1A1HPGDHSD17B10TDP1
SCHEMBL28380558 0.77 ALDH1A1 (0.51) KDM4EALDH1A1HPGDHSD17B10TDP1
SCHEMBL4585151 0.71 ALOX5 (0.39) KDM4EALDH1A1HPGDHSD17B10TDP1
SCHEMBL16446613 0.68 CYP1A2 (0.51) KDM4EALDH1A1HPGDHSD17B10TDP1
SCHEMBL3132739 0.68 ALDH1A1 (0.51) KDM4EALDH1A1HPGDCASP1CASP7
SCHEMBL11308721 0.67 NPC1 (0.56) KDM4EALDH1A1HPGDHSD17B10GLA
SCHEMBL8933833 0.67 MAPT (0.32) KDM4EALDH1A1GLAKMT2AMAPT
SCHEMBL28849582 0.66 CYP19A1 (0.42) KDM4EHSD17B10TDP1SMN1; SMN2ADORA3
SCHEMBL4492054 0.65 ADORA2A (0.47) KDM4EALDH1A1HPGDCASP1CASP7
SCHEMBL10902564 0.65 MAPT (0.41) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2

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-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-20040063699-A1 Gpr14 antagonist TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-04-01 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
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 (9 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 3540/4885ALDH1A1 346/4885HPGD 383/4885
US-20090264467-A1 Agents and crystals for improving excretory potency of urinary bladder ACHE, BCHE, PDE7A KDM4E 562/4885ALDH1A1 1143/4885HPGD 994/4885
US-20020177593-A1 Agents and crystals for improving excretory potency of urinary bladder ACHE, BPHL, BCHE KDM4E 306/4885ALDH1A1 1185/4885HPGD 716/4885
US-20070232538-A1 Uses of polypeptides NPSR1, SCTR, GRPR KDM4E 4438/4885ALDH1A1 3946/4885HPGD 4273/4885
US-20060281725-A1 Agents and crystals for improving excretory potency of urinary bladder ACHE, BCHE, PDE7A KDM4E 460/4885ALDH1A1 1245/4885HPGD 987/4885
US-20060211675-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, ACE KDM4E 3707/4885ALDH1A1 212/4885HPGD 267/4885
US-20040053826-A1 Uses of polypeptides NPSR1, SCTR, GRPR KDM4E 4438/4885ALDH1A1 3946/4885HPGD 4273/4885
US-20030207863-A1 Preventives and remedies for central nervous system diseases UTS2R, PRSS12, CTSA KDM4E 4866/4885ALDH1A1 3567/4885HPGD 2127/4885
US-20040063699-A1 Gpr14 antagonist GPR142, GPR139, GPR4 KDM4E 2148/4885ALDH1A1 2561/4885HPGD 2081/4885

“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.