SCHEMBL4507544

SCHEMBL4507544

c1ccc2c(c1)nc1cc3ncc[nH]c3cc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 1/20 0.48
SMARCA2 P51531 1/20 0.48
CYP3A4 P08684 3/20 0.46
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 3/20 0.39
RAB9A P51151 3/20 0.39
HPGD P15428 3/20 0.39
HSD17B10 Q99714 2/20 0.39
NPC1 O15118 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
MAPT P10636 3/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
GPR55 Q9Y2T6 1/20 0.38
MEN1 O00255 1/20 0.38

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
SCHEMBL7055250 0.94 RAD52 (0.48) RAD52SMARCA2CYP3A4ALDH1A1KDM4E
SCHEMBL4502743 0.77 RAD52 (0.54) RAD52SMARCA2CYP3A4ALDH1A1KDM4E
SCHEMBL4500096 0.75 CYP3A4 (0.69) RAD52SMARCA2CYP3A4ALDH1A1KDM4E
SCHEMBL4496612 0.73 RAD52 (0.50) RAD52SMARCA2CYP3A4ALDH1A1KDM4E
SCHEMBL4488345 0.70 DYRK1A (0.51) RAD52SMARCA2CYP3A4ALDH1A1KDM4E
SCHEMBL6016012 0.70 ALDH1A1 (0.56) RAD52SMARCA2CYP3A4ALDH1A1KDM4E
SCHEMBL789542 0.69 CYP3A4 (0.63) CYP3A4ALDH1A1KDM4ERAB9AHPGD
SCHEMBL30365351 0.69 CYP3A4 (0.63) CYP3A4ALDH1A1KDM4ERAB9AHPGD
SCHEMBL4486896 0.69 RAD52 (0.39) RAD52SMARCA2CYP3A4ALDH1A1KDM4E
SCHEMBL4503223 0.68 MAPK10 (0.50) RAD52SMARCA2CYP3A4ALDH1A1KDM4E

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
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
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
EP-0975624-A1 THERMOGENIC COMPOSITION AND BENZAZEPINE THERMOGENICS Takeda Chemical Industries, Ltd. (JP) 2000-02-02 EP disclosed
WO-1998046590-A1 THERMOGENIC COMPOSITION AND BENZAZEPINE THERMOGENICS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-10-22 WO 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 (6 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 RAD52 3088/4885SMARCA2 3327/4885CYP3A4 1042/4885
US-20090264467-A1 Agents and crystals for improving excretory potency of urinary bladder ACHE, BCHE, PDE7A RAD52 4491/4885SMARCA2 3596/4885CYP3A4 529/4885
US-20020177593-A1 Agents and crystals for improving excretory potency of urinary bladder ACHE, BPHL, BCHE RAD52 4647/4885SMARCA2 3783/4885CYP3A4 555/4885
US-20070232538-A1 Uses of polypeptides NPSR1, SCTR, GRPR RAD52 2753/4885SMARCA2 2714/4885CYP3A4 4836/4885
US-20060281725-A1 Agents and crystals for improving excretory potency of urinary bladder ACHE, BCHE, PDE7A RAD52 4537/4885SMARCA2 3551/4885CYP3A4 565/4885
US-20060211675-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, ACE RAD52 1582/4885SMARCA2 2932/4885CYP3A4 1676/4885

“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.