SCHEMBL4501037

SCHEMBL4501037

c1ccc2nn3c(cc2c1)cc1ccccc13

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
MAPT P10636 3/20 0.43
HPGD P15428 2/20 0.43
GLA P06280 1/20 0.43
ACHE P22303 1/20 0.43
TERT O14746 1/20 0.39
NQO2 P16083 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
KDM4E B2RXH2 4/20 0.35
TSHR P16473 2/20 0.35
HSD17B10 Q99714 2/20 0.35
LMNA P02545 2/20 0.35
POLB P06746 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
CYP1A2 P05177 1/20 0.34
NOS2 P35228 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
PDE2A O00408 1/20 0.34
PDE3B Q13370 1/20 0.34

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
SCHEMBL16542591 0.71 MEN1 (0.36) ALDH1A1MAPTHPGDGLAMEN1
SCHEMBL10258818 0.71 SLC6A2 (0.36) ALDH1A1MAPTHPGDGLATERT
SCHEMBL10744894 0.69 PDE2A (0.40) ALDH1A1MAPTHPGDGLAACHE
SCHEMBL519559 0.69 PLK1 (0.52) MEN1KMT2ATSHRCYP1A2
SCHEMBL10373865 0.68 ALDH1A1 (0.43) ALDH1A1MAPTHPGDGLAACHE
SCHEMBL519842 0.67 KDM4E (0.38) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL12145717 0.67 KDM4E (0.41) ALDH1A1MAPTHPGDTERTMEN1
SCHEMBL1415039 0.67 ALDH1A1 (0.41) ALDH1A1MAPTHPGDGLAACHE
SCHEMBL4511748 0.67 ALDH1A1 (0.50) ALDH1A1MAPTHPGDGLAACHE
SCHEMBL29711837 0.67 ALDH1A1 (0.50) ALDH1A1MAPTHPGDGLAACHE

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 ALDH1A1 346/4885MAPT 2484/4885HPGD 383/4885
US-20090264467-A1 Agents and crystals for improving excretory potency of urinary bladder ACHE, BCHE, PDE7A ALDH1A1 1143/4885MAPT 1113/4885HPGD 994/4885
US-20020177593-A1 Agents and crystals for improving excretory potency of urinary bladder ACHE, BPHL, BCHE ALDH1A1 1185/4885MAPT 1206/4885HPGD 716/4885
US-20070232538-A1 Uses of polypeptides NPSR1, SCTR, GRPR ALDH1A1 3946/4885MAPT 2628/4885HPGD 4273/4885
US-20060281725-A1 Agents and crystals for improving excretory potency of urinary bladder ACHE, BCHE, PDE7A ALDH1A1 1245/4885MAPT 1290/4885HPGD 987/4885
US-20060211675-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, ACE ALDH1A1 212/4885MAPT 1584/4885HPGD 267/4885
US-20040053826-A1 Uses of polypeptides NPSR1, SCTR, GRPR ALDH1A1 3946/4885MAPT 2628/4885HPGD 4273/4885
US-20030207863-A1 Preventives and remedies for central nervous system diseases UTS2R, PRSS12, CTSA ALDH1A1 3567/4885MAPT 79/4885HPGD 2127/4885

“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.