SCHEMBL4503402

SCHEMBL4503402

c1ccc2c3c4ccncc4occ-3nc2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK1 P49759 1/20 0.36
RAD52 P43351 1/20 0.35
KMT2A Q03164 1/20 0.35
IDO1 P14902 2/20 0.35
F2 P00734 1/20 0.35
KDM4E B2RXH2 2/20 0.35
MTNR1A P48039 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
DHODH Q02127 4/20 0.34
KDM4C Q9H3R0 2/20 0.34
TGFBR1 P36897 1/20 0.33
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
IKBKB O14920 1/20 0.33
AURKA O14965 1/20 0.33
CHUK O15111 1/20 0.33
ALDH1A1 P00352 1/20 0.33
PIM1 P11309 1/20 0.33
TOP1 P11387 1/20 0.33
GABRA1 P14867 1/20 0.33

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
SCHEMBL4499797 0.84 MAOB (0.39) RAD52KMT2AKDM4EALDH1A1HPGD
SCHEMBL3233132 0.70 DYRK1A (0.52) IDO1KDM4ETGFBR1GABRPGABRD
SCHEMBL1102565 0.70 RAD52 (0.46) CLK1RAD52KMT2AIDO1KDM4E
SCHEMBL29660606 0.67 METAP2 (0.54) CLK1RAD52KMT2AKDM4EALDH1A1
SCHEMBL321962 0.67 METAP2 (0.54) CLK1RAD52KMT2AKDM4EALDH1A1
SCHEMBL1102484 0.67 RAB9A (0.54) KMT2AKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL321429 0.65 METAP1 (0.58) KMT2AKDM4EDHODHALDH1A1HPGD
SCHEMBL29488283 0.65 METAP1 (0.58) KMT2AKDM4EDHODHALDH1A1HPGD
SCHEMBL4501372 0.65 KMT2A (0.45) RAD52KMT2AKDM4EALDH1A1HPGD
SCHEMBL4496172 0.65 KDM4E (0.50) KMT2AKDM4EDHODHTGFBR1ALDH1A1

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 CLK1 3053/4885RAD52 3088/4885KMT2A 2626/4885
US-20090264467-A1 Agents and crystals for improving excretory potency of urinary bladder ACHE, BCHE, PDE7A CLK1 2944/4885RAD52 4491/4885KMT2A 1919/4885
US-20020177593-A1 Agents and crystals for improving excretory potency of urinary bladder ACHE, BPHL, BCHE CLK1 3805/4885RAD52 4647/4885KMT2A 1482/4885
US-20070232538-A1 Uses of polypeptides NPSR1, SCTR, GRPR CLK1 3215/4885RAD52 2753/4885KMT2A 2960/4885
US-20060281725-A1 Agents and crystals for improving excretory potency of urinary bladder ACHE, BCHE, PDE7A CLK1 3194/4885RAD52 4537/4885KMT2A 1771/4885
US-20060211675-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, ACE CLK1 1543/4885RAD52 1582/4885KMT2A 1894/4885
US-20040053826-A1 Uses of polypeptides NPSR1, SCTR, GRPR CLK1 3215/4885RAD52 2753/4885KMT2A 2960/4885
US-20030207863-A1 Preventives and remedies for central nervous system diseases UTS2R, PRSS12, CTSA CLK1 3008/4885RAD52 2229/4885KMT2A 3443/4885

“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.