SCHEMBL4496269

SCHEMBL4496269

c1ccc2c(c1)ccc1cc3ccccc3n12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.44
PBRM1 Q86U86 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 5/20 0.40
CA12 O43570 2/20 0.40
CA9 Q16790 2/20 0.40
BRD4 O60885 1/20 0.40
BRPF1 P55201 1/20 0.40
KAT2B Q92831 1/20 0.40
BRD9 Q9H8M2 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 2/20 0.39
CDK4 P11802 4/20 0.38
CCND1 P24385 4/20 0.38
HSD17B10 Q99714 3/20 0.37
CYP3A4 P08684 2/20 0.37
DAO P14920 2/20 0.36
ALOX15 P16050 1/20 0.36
CASP1 P29466 1/20 0.36

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
SCHEMBL4504578 0.79 KDM4E (0.37) SMN1; SMN2PBRM1L3MBTL1KMT2AALDH1A1
SCHEMBL13852989 0.74 KMT2A (0.41) SMN1; SMN2PBRM1L3MBTL1KMT2AALDH1A1
SCHEMBL16363720 0.73 MAPK1 (0.42) SMN1; SMN2PBRM1L3MBTL1KMT2AALDH1A1
SCHEMBL18346342 0.73 CDK4 (0.42) SMN1; SMN2PBRM1L3MBTL1KMT2AALDH1A1
SCHEMBL22367052 0.72 CA12 (0.47) SMN1; SMN2PBRM1L3MBTL1KMT2AALDH1A1
SCHEMBL14339198 0.70 SMN1; SMN2 (0.41) SMN1; SMN2PBRM1L3MBTL1KMT2AALDH1A1
SCHEMBL29711837 0.70 ALDH1A1 (0.50) SMN1; SMN2KMT2AALDH1A1MAPTMAPK1
SCHEMBL4511748 0.70 ALDH1A1 (0.50) SMN1; SMN2KMT2AALDH1A1MAPTMAPK1
SCHEMBL7854645 0.69 CA12 (0.40) SMN1; SMN2PBRM1L3MBTL1ALDH1A1CA12
SCHEMBL29744499 0.69 HTR2A (0.33) KMT2AALDH1A1MAPTDAOMCL1

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 SMN1; SMN2 1750/4885PBRM1 4806/4885L3MBTL1 2113/4885
US-20090264467-A1 Agents and crystals for improving excretory potency of urinary bladder ACHE, BCHE, PDE7A SMN1; SMN2 2369/4885PBRM1 2014/4885L3MBTL1 4317/4885
US-20020177593-A1 Agents and crystals for improving excretory potency of urinary bladder ACHE, BPHL, BCHE SMN1; SMN2 2689/4885PBRM1 1823/4885L3MBTL1 4607/4885
US-20070232538-A1 Uses of polypeptides NPSR1, SCTR, GRPR SMN1; SMN2 3147/4885PBRM1 2042/4885L3MBTL1 3149/4885
US-20060281725-A1 Agents and crystals for improving excretory potency of urinary bladder ACHE, BCHE, PDE7A SMN1; SMN2 2437/4885PBRM1 1619/4885L3MBTL1 4274/4885
US-20060211675-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, ACE SMN1; SMN2 1418/4885PBRM1 4726/4885L3MBTL1 2341/4885
US-20040053826-A1 Uses of polypeptides NPSR1, SCTR, GRPR SMN1; SMN2 3147/4885PBRM1 2042/4885L3MBTL1 3149/4885
US-20030207863-A1 Preventives and remedies for central nervous system diseases UTS2R, PRSS12, CTSA SMN1; SMN2 90/4885PBRM1 4225/4885L3MBTL1 4227/4885

“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.