SCHEMBL4493170

SCHEMBL4493170

c1coc2cc3nc4ccccc4c3cc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.45
ESR2 Q92731 2/20 0.45
ADORA2A P29274 2/20 0.41
KDM4E B2RXH2 6/20 0.40
TDP1 Q9NUW8 5/20 0.40
POLB P06746 4/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
KMT2A Q03164 3/20 0.40
MAPT P10636 3/20 0.40
MEN1 O00255 2/20 0.40
RECQL P46063 2/20 0.40
ALDH1A1 P00352 6/20 0.40
HPGD P15428 6/20 0.40
GLA P06280 4/20 0.40
HSD17B10 Q99714 3/20 0.40
GAA P10253 2/20 0.40
TP53 P04637 1/20 0.40
MAPK1 P28482 1/20 0.40
RAB9A P51151 2/20 0.40
ELANE P08246 1/20 0.40

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
SCHEMBL7252826 0.89 ESR1 (0.37) ESR1ESR2ADORA2AKDM4ETDP1
SCHEMBL9307675 0.87 ESR1 (0.44) ESR1ESR2ADORA2AKDM4ETDP1
SCHEMBL4506468 0.77 ESR1 (0.68) ESR1ESR2KDM4ETDP1POLB
SCHEMBL4489283 0.77 CLK1 (0.41) ESR1ESR2KDM4ETDP1POLB
SCHEMBL8132839 0.75 ESR1 (0.40) ESR1ESR2KDM4ETDP1POLB
SCHEMBL7532714 0.72 ALDH1A1 (0.47) ESR1ESR2KDM4ETDP1POLB
SCHEMBL6652020 0.71 ALDH1A1 (0.56) ADORA2AKDM4ETDP1POLBKMT2A
SCHEMBL11096458 0.71 TDP1 (0.43) ADORA2AKDM4ETDP1POLBL3MBTL1
SCHEMBL4495841 0.70 MAPK10 (0.42) ESR1ADORA2AKDM4ETDP1POLB
SCHEMBL29588824 0.70 MAPK10 (0.42) ESR1ADORA2AKDM4ETDP1POLB

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-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 (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 ESR1 3070/4885ESR2 2795/4885ADORA2A 1601/4885
US-20090264467-A1 Agents and crystals for improving excretory potency of urinary bladder ACHE, BCHE, PDE7A ESR1 4656/4885ESR2 4479/4885ADORA2A 2587/4885
US-20020177593-A1 Agents and crystals for improving excretory potency of urinary bladder ACHE, BPHL, BCHE ESR1 4636/4885ESR2 4423/4885ADORA2A 3619/4885
US-20070232538-A1 Uses of polypeptides NPSR1, SCTR, GRPR ESR1 850/4885ESR2 1305/4885ADORA2A 1390/4885
US-20060281725-A1 Agents and crystals for improving excretory potency of urinary bladder ACHE, BCHE, PDE7A ESR1 4670/4885ESR2 4591/4885ADORA2A 3034/4885
US-20060211675-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, ACE ESR1 2575/4885ESR2 1365/4885ADORA2A 492/4885
US-20040053826-A1 Uses of polypeptides NPSR1, SCTR, GRPR ESR1 850/4885ESR2 1305/4885ADORA2A 1390/4885
US-20030207863-A1 Preventives and remedies for central nervous system diseases UTS2R, PRSS12, CTSA ESR1 3783/4885ESR2 1501/4885ADORA2A 583/4885
US-20040063699-A1 Gpr14 antagonist GPR142, GPR139, GPR4 ESR1 103/4885ESR2 115/4885ADORA2A 649/4885

“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.