SCHEMBL4501353

SCHEMBL4501353

c1cnc2cc3c4ccccc4nc-3ccc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
CYP3A4 P08684 3/20 0.49
CYP1A2 P05177 2/20 0.47
CYP2C19 P33261 2/20 0.47
MEN1 O00255 1/20 0.47
CASP1 P29466 1/20 0.47
CASP7 P55210 1/20 0.47
KMT2A Q03164 1/20 0.47
HTT P42858 1/20 0.47
NR4A2 P43354 1/20 0.47
PDE10A Q9Y233 1/20 0.47
NPC1 O15118 4/20 0.46
RAB9A P51151 3/20 0.45
TOP1 P11387 1/20 0.45
LMNA P02545 1/20 0.43
KDM4E B2RXH2 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
AR P10275 3/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42

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
Quinoline SCHEMBL28096947 0.86 ALDH1A1 (0.61) ALDH1A1CYP3A4CYP1A2CYP2C19MEN1
SCHEMBL7918710 0.83 CYP3A4 (0.53) ALDH1A1CYP3A4CYP1A2CYP2C19MEN1
SCHEMBL4514971 0.80 NPC1 (0.47) MEN1KMT2ANPC1RAB9ALMNA
SCHEMBL29863066 0.80 TOP1 (0.44) ALDH1A1CYP3A4CYP1A2CYP2C19NPC1
SCHEMBL21743486 0.80 RAB9A (0.47) ALDH1A1CYP3A4CYP1A2CYP2C19NPC1
SCHEMBL5480864 0.79 CYP1A2 (0.58) ALDH1A1CYP3A4CYP1A2CYP2C19MEN1
SCHEMBL14884141 0.78 FTO (0.44) ALDH1A1CYP3A4CYP1A2CYP2C19MEN1
SCHEMBL24475575 0.78 CYP3A4 (0.47) ALDH1A1CYP3A4MEN1KMT2ANR4A2
SCHEMBL24475593 0.78 CYP3A4 (0.44) ALDH1A1CYP3A4NPC1RAB9AAR
SCHEMBL14884135 0.77 FTO (0.43) ALDH1A1CYP3A4CYP1A2CYP2C19MEN1

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 26 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-20040063699-A1 Gpr14 antagonist TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-04-01 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
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 (9 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 ALDH1A1 346/4885CYP3A4 1042/4885CYP1A2 725/4885
US-20090264467-A1 Agents and crystals for improving excretory potency of urinary bladder ACHE, BCHE, PDE7A ALDH1A1 1143/4885CYP3A4 529/4885CYP1A2 1169/4885
US-20020177593-A1 Agents and crystals for improving excretory potency of urinary bladder ACHE, BPHL, BCHE ALDH1A1 1185/4885CYP3A4 555/4885CYP1A2 1433/4885
US-20070232538-A1 Uses of polypeptides NPSR1, SCTR, GRPR ALDH1A1 3946/4885CYP3A4 4836/4885CYP1A2 4859/4885
US-20060281725-A1 Agents and crystals for improving excretory potency of urinary bladder ACHE, BCHE, PDE7A ALDH1A1 1245/4885CYP3A4 565/4885CYP1A2 1276/4885
US-20060211675-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, ACE ALDH1A1 212/4885CYP3A4 1676/4885CYP1A2 799/4885
US-20040053826-A1 Uses of polypeptides NPSR1, SCTR, GRPR ALDH1A1 3946/4885CYP3A4 4836/4885CYP1A2 4859/4885
US-20030207863-A1 Preventives and remedies for central nervous system diseases UTS2R, PRSS12, CTSA ALDH1A1 3567/4885CYP3A4 4622/4885CYP1A2 3530/4885
US-20040063699-A1 Gpr14 antagonist GPR142, GPR139, GPR4 ALDH1A1 2561/4885CYP3A4 2111/4885CYP1A2 2299/4885

“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.