SCHEMBL4502785

SCHEMBL4502785

C1=Cn2c3ccccc3c3cccc(c32)N=C1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALKBH5 Q6P6C2 1/20 0.35
FTO Q9C0B1 1/20 0.35
DUSP3 P51452 1/20 0.32
GPR3 P46089 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL4495884 0.69 ALKBH5 (0.37) ALKBH5FTODUSP3GPR3CYP1A2
SCHEMBL4485928 0.66 ALKBH5 (0.37) ALKBH5FTODUSP3GPR3CYP1A2
SCHEMBL31069844 0.65 MCL1 (0.35) ALKBH5FTO
SCHEMBL10835548 0.65 MCL1 (0.35) ALKBH5FTO
SCHEMBL2671456 0.64 ALKBH5 (0.36) ALKBH5FTODUSP3GPR3CYP1A2
SCHEMBL4503588 0.64 KMT2A (0.36)
SCHEMBL4503596 0.64 KMT2A (0.36)
SCHEMBL4501446 0.63 ALKBH5 (0.39) ALKBH5FTODUSP3GPR3CYP1A2
SCHEMBL20773886 0.62 ALKBH5 (0.37) ALKBH5FTODUSP3GPR3CYP1A2
SCHEMBL11542044 0.62 ALKBH5 (0.37) ALKBH5FTODUSP3GPR3CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3675814-A1 COMPOSITION FOR TOPICAL TREATMENT OF NON-MICROORGANISM-CAUSED INFLAMMATORY SKIN AND MUCOUS-MEMBRANE DISEASES Bläss, Markus (DE) 2020-07-08 EP disclosed
WO-2019043064-A1 COMPOSITION FOR TOPICAL TREATMENT OF NON-MICROORGANISM-CAUSED INFLAMMATORY SKIN AND MUCOUS-MEMBRANE DISEASES BLAESS MARKUS (DE) 2019-03-07 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-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-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 (7 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 ALKBH5 1849/4885FTO 3752/4885DUSP3 3366/4885
US-20090264467-A1 Agents and crystals for improving excretory potency of urinary bladder ACHE, BCHE, PDE7A ALKBH5 2013/4885FTO 2348/4885DUSP3 4177/4885
US-20020177593-A1 Agents and crystals for improving excretory potency of urinary bladder ACHE, BPHL, BCHE ALKBH5 1601/4885FTO 2197/4885DUSP3 4072/4885
US-20070232538-A1 Uses of polypeptides NPSR1, SCTR, GRPR ALKBH5 4808/4885FTO 4865/4885DUSP3 1560/4885
US-20060281725-A1 Agents and crystals for improving excretory potency of urinary bladder ACHE, BCHE, PDE7A ALKBH5 1721/4885FTO 2353/4885DUSP3 4086/4885
US-20040053826-A1 Uses of polypeptides NPSR1, SCTR, GRPR ALKBH5 4808/4885FTO 4865/4885DUSP3 1560/4885
US-20030207863-A1 Preventives and remedies for central nervous system diseases UTS2R, PRSS12, CTSA ALKBH5 4885/4885FTO 4877/4885DUSP3 2683/4885

“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.