SCHEMBL4510250

SCHEMBL4510250

c1ccc2c3nc4ccccc4c-3snc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 5/20 0.40
▸ NUDT1 P36639 3/20 0.40
▸ ALDH1A1 P00352 5/20 0.39
▸ KDM4E B2RXH2 4/20 0.39
▸ HPGD P15428 3/20 0.39
▸ MAOA P21397 2/20 0.39
▸ GLA P06280 2/20 0.39
▸ CASP1 P29466 2/20 0.39
▸ CASP7 P55210 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ CHRM2 P08172 1/20 0.39
▸ ADRA2A P08913 1/20 0.39
▸ ADORA3 P0DMS8 1/20 0.39
▸ CHRM1 P11229 1/20 0.39
▸ NQO2 P16083 1/20 0.39
▸ DRD1 P21728 1/20 0.39
▸ ACHE P22303 1/20 0.39
▸ SLC6A2 P23975 1/20 0.39
▸ ADRA1A P35348 1/20 0.39

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
SCHEMBL18160956 0.79 ADORA2A (0.39) ADORA2ANUDT1ALDH1A1KDM4EHPGD
SCHEMBL4502429 0.72 KDM4E (0.39) ADORA2ANUDT1ALDH1A1KDM4EHPGD
SCHEMBL15833936 0.72 GPR3 (0.42) ALDH1A1KDM4EHPGDMAOAGLA
SCHEMBL28862918 0.71 GPR3 (0.33) ALDH1A1KDM4EHSD17B10LMNAMAPT
SCHEMBL1838390 0.69 GPR3 (0.32) ALDH1A1KDM4EHPGDGLACASP1
SCHEMBL713088 0.68 GPR3 (0.31) GPR3
SCHEMBL22217140 0.68 ALDH1A1 (0.31) ALDH1A1KDM4EHPGDSMN1; SMN2HSD17B10
SCHEMBL3805823 0.67 GPR3 (0.42) ALDH1A1KDM4EHPGDMAOAGLA
SCHEMBL5571932 0.66 GPR3 (0.40) ALDH1A1KDM4EHPGDMAOAGLA
SCHEMBL11085745 0.66 MAOA (0.44) ALDH1A1KDM4EHPGDMAOAGLA

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 ADORA2A 1601/4885NUDT1 1290/4885ALDH1A1 346/4885
US-20090264467-A1 Agents and crystals for improving excretory potency of urinary bladder ACHE, BCHE, PDE7A ADORA2A 2587/4885NUDT1 181/4885ALDH1A1 1143/4885
US-20020177593-A1 Agents and crystals for improving excretory potency of urinary bladder ACHE, BPHL, BCHE ADORA2A 3619/4885NUDT1 286/4885ALDH1A1 1185/4885
US-20070232538-A1 Uses of polypeptides NPSR1, SCTR, GRPR ADORA2A 1390/4885NUDT1 3526/4885ALDH1A1 3946/4885
US-20060281725-A1 Agents and crystals for improving excretory potency of urinary bladder ACHE, BCHE, PDE7A ADORA2A 3034/4885NUDT1 236/4885ALDH1A1 1245/4885
US-20060211675-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, ACE ADORA2A 492/4885NUDT1 1258/4885ALDH1A1 212/4885
US-20040053826-A1 Uses of polypeptides NPSR1, SCTR, GRPR ADORA2A 1390/4885NUDT1 3526/4885ALDH1A1 3946/4885
US-20030207863-A1 Preventives and remedies for central nervous system diseases UTS2R, PRSS12, CTSA ADORA2A 583/4885NUDT1 2549/4885ALDH1A1 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.

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