SCHEMBL4509948

SCHEMBL4509948

c1ccc2ncc3c4ccccc4nc-3cc2c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.48
PDGFRB P09619 3/20 0.47
PDGFRA P16234 3/20 0.47
MGAM O43451 1/20 0.47
KDM4E B2RXH2 1/20 0.47
GPR3 P46089 1/20 0.47
TOP2A P11388 2/20 0.45
TOP2B Q02880 2/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TERT O14746 1/20 0.44
ALDH1A1 P00352 1/20 0.42
RAB9A P51151 1/20 0.41
ACHE P22303 2/20 0.41
CYP2A6 P11509 1/20 0.41
MAOA P21397 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
SCHEMBL4495644 0.85 CYP1A2 (0.48) CYP1A2PDGFRBPDGFRAMGAMKDM4E
Ammonia Solution, Strong SCHEMBL27392709 0.78 ACHE (0.50) CYP1A2KDM4EGPR3MEN1KMT2A
SCHEMBL4501611 0.77 MEN1 (0.50) KDM4EMEN1KMT2ATERTALDH1A1
Quinoline SCHEMBL28096947 0.76 ALDH1A1 (0.61) CYP1A2KDM4EMEN1KMT2AALDH1A1
SCHEMBL4507502 0.71 KDM4E (0.52) CYP1A2PDGFRBPDGFRAKDM4EGPR3
SCHEMBL31428879 0.70 PDGFRB (0.57) CYP1A2PDGFRBPDGFRAKDM4EGPR3
SCHEMBL20873052 0.70 PDGFRB (0.57) CYP1A2PDGFRBPDGFRAKDM4EGPR3
SCHEMBL5222126 0.70 ACACA (0.64) KDM4EALDH1A1ACHE
SCHEMBL1115371 0.69 CYP1A2 (0.52) CYP1A2PDGFRBPDGFRAMGAMKDM4E
SCHEMBL4514971 0.69 NPC1 (0.47) MEN1KMT2ATERTRAB9AACHE

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 CYP1A2 725/4885PDGFRB 4713/4885PDGFRA 4786/4885
US-20090264467-A1 Agents and crystals for improving excretory potency of urinary bladder ACHE, BCHE, PDE7A CYP1A2 1169/4885PDGFRB 4384/4885PDGFRA 4114/4885
US-20020177593-A1 Agents and crystals for improving excretory potency of urinary bladder ACHE, BPHL, BCHE CYP1A2 1433/4885PDGFRB 4428/4885PDGFRA 4270/4885
US-20070232538-A1 Uses of polypeptides NPSR1, SCTR, GRPR CYP1A2 4859/4885PDGFRB 656/4885PDGFRA 574/4885
US-20060281725-A1 Agents and crystals for improving excretory potency of urinary bladder ACHE, BCHE, PDE7A CYP1A2 1276/4885PDGFRB 4390/4885PDGFRA 4122/4885
US-20060211675-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, ACE CYP1A2 799/4885PDGFRB 4353/4885PDGFRA 4286/4885
US-20040053826-A1 Uses of polypeptides NPSR1, SCTR, GRPR CYP1A2 4859/4885PDGFRB 656/4885PDGFRA 574/4885
US-20030207863-A1 Preventives and remedies for central nervous system diseases UTS2R, PRSS12, CTSA CYP1A2 3530/4885PDGFRB 3335/4885PDGFRA 3240/4885

“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.