SCHEMBL4489100

SCHEMBL4489100

c1ccc2c(c1)CCON2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.42
MAPK13 O15264 1/20 0.42
MAPK12 P53778 1/20 0.42
MAPK11 Q15759 1/20 0.42
MAPK14 Q16539 1/20 0.42
MAPT P10636 3/20 0.39
GAA P10253 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
KDM4E B2RXH2 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
HTR2C P28335 1/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
ALOX5 P09917 1/20 0.34
MAOA P21397 1/20 0.34

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
SCHEMBL4501793 0.87 MAPT (0.46) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL3487260 0.76
SCHEMBL29550485 0.76
SCHEMBL29412522 0.71 PDPK1 (0.53) NPC1MAPTNPSR1CA12CA9
SCHEMBL16365966 0.71 CHRNB2 (0.41)
SCHEMBL11442210 0.71 ALOX5 (0.48) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL11100243 0.70 CYP2A6 (0.42) MAPTGAANPSR1TSHRMAOA
SCHEMBL4502710 0.70 ALOX15 (0.41) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL448864 0.70 NPC1 (0.39) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL451307 0.70 NPC1 (0.39) NPC1MAPK13MAPK12MAPK11MAPK14

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 46 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118453896-A Antibody-drug conjugates, pharmaceutical compositions and therapeutic uses 上海偌妥生物科技有限公司 2024-08-09 CN disclosed
CN-107922383-A Selective anticancer compound 新加坡国立大学 2018-04-17 CN disclosed
EP-2533784-B1 SANGLIFEHRIN BASED COMPOUNDS NEUROVIVE PHARMACEUTICAL AB (SE) 2015-04-22 EP disclosed
WO-2013061052-A1 NOVEL DOSAGE FORM BIOTICA TECHNOLOGY LIMITED (GB) 2013-05-02 WO disclosed
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-20030105106-A1 5-HT receptor ligands and uses thereof CHIANG PHOEBE (US) 2003-06-05 US 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
WO-2003000663-A1 5-HT RECEPTOR LIGANDS AND USES THEREOF PFIZER PRODUCTS INC. (US) 2003-01-03 WO disclosed
WO-2003000666-A1 5-HT RECEPTOR LIGANDS AND USES THEREOF PFIZER PRODUCTS INC. (US) 2003-01-03 WO disclosed
US-20020177593-A1 Agents and crystals for improving excretory potency of urinary bladder TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2002-11-28 US disclosed
US-6319916-B1 CHOLINESTERASE INHIBITOR FOR SENILE DEMENTIA AND ALZHEIMER'S TREATMENT TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-11-20 US disclosed
EP-1118322-A1 DRUGS FOR IMPROVING VESICAL EXCRETORY STRENGTH Takeda Chemical Industries, Ltd. (JP) 2001-07-25 EP disclosed
EP-0567090-A2 Benzoxazepine derivatives as cholinesterase inhibitors TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-10-27 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 (5 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 NPC1 2028/4885MAPK13 2820/4885MAPK12 3355/4885
US-20090264467-A1 Agents and crystals for improving excretory potency of urinary bladder ACHE, BCHE, PDE7A NPC1 1992/4885MAPK13 3714/4885MAPK12 3942/4885
US-20030105106-A1 5-HT receptor ligands and uses thereof HTR1A, HTR2A, HTR5A NPC1 1963/4885MAPK13 3816/4885MAPK12 4242/4885
US-20020177593-A1 Agents and crystals for improving excretory potency of urinary bladder ACHE, BPHL, BCHE NPC1 1932/4885MAPK13 3655/4885MAPK12 3945/4885
US-20070232538-A1 Uses of polypeptides NPSR1, SCTR, GRPR NPC1 1752/4885MAPK13 1285/4885MAPK12 1737/4885

“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.