SCHEMBL4501372

SCHEMBL4501372

c1ccc2c3c4ccccc4nc-3cccc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.45
MEN1 O00255 2/20 0.45
ESR1 P03372 2/20 0.44
ESR2 Q92731 2/20 0.44
ALDH1A1 P00352 5/20 0.41
KDM4E B2RXH2 4/20 0.41
HSD17B10 Q99714 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
GLA P06280 3/20 0.41
HPGD P15428 3/20 0.41
MAOA P21397 2/20 0.41
ACHE P22303 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
CASP1 P29466 2/20 0.41
CASP7 P55210 2/20 0.41
CHRM2 P08172 1/20 0.41
ADRA2A P08913 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
CHRM1 P11229 1/20 0.41
NQO2 P16083 1/20 0.41

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
SCHEMBL4496172 0.82 KDM4E (0.50) KMT2AMEN1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL9601916 0.81 RAB9A (0.53) KMT2AMEN1ESR1ESR2ALDH1A1
SCHEMBL30543754 0.81 RAB9A (0.53) KMT2AMEN1ESR1ESR2ALDH1A1
SCHEMBL4499866 0.78 KDM4E (0.44) KMT2AMEN1ESR1ESR2ALDH1A1
SCHEMBL4501473 0.77 NCF1 (0.50) ALDH1A1KDM4EHSD17B10SMN1; SMN2GLA
SCHEMBL29488283 0.74 METAP1 (0.58) KMT2AMEN1ALDH1A1KDM4EHSD17B10
SCHEMBL19609002 0.74 KMT2A (0.53) KMT2AMEN1ESR1ESR2ALDH1A1
SCHEMBL321429 0.74 METAP1 (0.58) KMT2AMEN1ALDH1A1KDM4EHSD17B10
SCHEMBL24662769 0.74 MEN1 (0.49) KMT2AMEN1ALDH1A1KDM4EHSD17B10
SCHEMBL4997837 0.74 ESR1 (0.41) KMT2AMEN1ESR1ESR2ALDH1A1

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 2626/4885MEN1 2903/4885ESR1 3070/4885
US-20090264467-A1 Agents and crystals for improving excretory potency of urinary bladder ACHE, BCHE, PDE7A KMT2A 1919/4885MEN1 3293/4885ESR1 4656/4885
US-20020177593-A1 Agents and crystals for improving excretory potency of urinary bladder ACHE, BPHL, BCHE KMT2A 1482/4885MEN1 3760/4885ESR1 4636/4885
US-20070232538-A1 Uses of polypeptides NPSR1, SCTR, GRPR KMT2A 2960/4885MEN1 4302/4885ESR1 850/4885
US-20060281725-A1 Agents and crystals for improving excretory potency of urinary bladder ACHE, BCHE, PDE7A KMT2A 1771/4885MEN1 3303/4885ESR1 4670/4885
US-20060211675-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, ACE KMT2A 1894/4885MEN1 3753/4885ESR1 2575/4885
US-20040053826-A1 Uses of polypeptides NPSR1, SCTR, GRPR KMT2A 2960/4885MEN1 4302/4885ESR1 850/4885
US-20030207863-A1 Preventives and remedies for central nervous system diseases UTS2R, PRSS12, CTSA KMT2A 3443/4885MEN1 904/4885ESR1 3783/4885

“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.