SCHEMBL4492064

SCHEMBL4492064

c1ccc2sc3c4ccccc4nc-3cc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TERT O14746 1/20 0.42
BCL2L1 Q07817 1/20 0.41
CASP3 P42574 2/20 0.40
SENP8 Q96LD8 2/20 0.40
SENP7 Q9BQF6 2/20 0.40
SENP6 Q9GZR1 2/20 0.40
TMIGD3 P0DMS9 1/20 0.40
ADORA1 P30542 1/20 0.40
STAT1 P42224 1/20 0.40
ACHE P22303 1/20 0.40
HPGD P15428 2/20 0.39
ALDH1A1 P00352 1/20 0.39
ADRA2A P08913 1/20 0.39
FBP1 P09467 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
DRD2 P14416 1/20 0.39
ALOX15 P16050 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
DRD1 P21728 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
SCHEMBL6534342 0.76 MEN1 (0.45) ALDH1A1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL4507680 0.76 HPGD (0.47) CASP3SENP8SENP7SENP6HPGD
SCHEMBL4487031 0.71 KDM4E (0.49) ALDH1A1ALOX15HSD17B10TDP1NPC1
SCHEMBL31023423 0.69 BACE1 (0.54) CASP3SENP8SENP7SENP6TMIGD3
SCHEMBL12383603 0.69 NQO1 (0.45) BCL2L1ADORA1KDM1ACA1CA2
SCHEMBL31571830 0.68 CDK4 (0.41) BCL2L1ACHEHPGDALDH1A1ADRA2A
SCHEMBL2208526 0.68 RAB9A (0.54) HPGDALDH1A1HSD17B10TDP1NPC1
SCHEMBL31038115 0.68 RAB9A (0.54) HPGDALDH1A1HSD17B10TDP1NPC1
SCHEMBL28380347 0.66 NQO1 (0.49) ADORA1KDM1ACA1CA2CA9
SCHEMBL19961704 0.66 RAB9A (0.59) HPGDALDH1A1HSD17B10TDP1NPC1

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 28 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-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-5814642-A CHOLINESTERASE INHIBITORY COMPOSITION FOR TREATMENT OF SENILE DEMENTIA TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-09-29 US 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 (7 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 TERT 2849/4885BCL2L1 2502/4885CASP3 2082/4885
US-20090264467-A1 Agents and crystals for improving excretory potency of urinary bladder ACHE, BCHE, PDE7A TERT 3794/4885BCL2L1 3160/4885CASP3 1644/4885
US-20020177593-A1 Agents and crystals for improving excretory potency of urinary bladder ACHE, BPHL, BCHE TERT 3845/4885BCL2L1 2903/4885CASP3 1176/4885
US-20070232538-A1 Uses of polypeptides NPSR1, SCTR, GRPR TERT 3938/4885BCL2L1 2732/4885CASP3 4608/4885
US-20060281725-A1 Agents and crystals for improving excretory potency of urinary bladder ACHE, BCHE, PDE7A TERT 3829/4885BCL2L1 2856/4885CASP3 1456/4885
US-20060211675-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, ACE TERT 3815/4885BCL2L1 2425/4885CASP3 2355/4885
US-20030207863-A1 Preventives and remedies for central nervous system diseases UTS2R, PRSS12, CTSA TERT 1937/4885BCL2L1 3268/4885CASP3 2657/4885

“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.