SCHEMBL4494824

SCHEMBL4494824

c1ccc2nc3c4ccccc4nc-3ccc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.53
NPC1 O15118 8/20 0.53
AR P10275 4/20 0.50
CYP3A4 P08684 3/20 0.50
CYP1A2 P05177 3/20 0.50
CYP2D6 P10635 2/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
KDM4E B2RXH2 7/20 0.47
ALDH1A1 P00352 6/20 0.47
HSD17B10 Q99714 4/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
TP53 P04637 3/20 0.47
PKM P14618 3/20 0.47
HPGD P15428 3/20 0.47
MAPT P10636 2/20 0.47
PMP22 Q01453 2/20 0.47
HCRTR1 O43613 1/20 0.47

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
SCHEMBL30586102 0.83 NPC1 (0.51) RAB9ANPC1ARCYP3A4CYP1A2
SCHEMBL9630011 0.83 RAB9A (0.50) RAB9ANPC1ARCYP3A4CYP1A2
SCHEMBL28924859 0.82 MEN1 (0.55) RAB9ANPC1ARCYP3A4CYP1A2
SCHEMBL14941820 0.80 RAB9A (0.43) RAB9ANPC1ARCYP3A4CYP1A2
SCHEMBL9628662 0.79 POLB (0.56) RAB9ANPC1ARCYP3A4CYP1A2
SCHEMBL5888794 0.79 NPC1 (0.61) RAB9ANPC1CYP2D6CYP2C19MEN1
SCHEMBL31489988 0.79 RAB9A (0.47) RAB9ANPC1ARCYP3A4CYP1A2
SCHEMBL16436772 0.79 MEN1 (0.60) RAB9ANPC1ARCYP3A4CYP1A2
SCHEMBL170196 0.79 RAB9A (0.64) RAB9ANPC1ARCYP3A4CYP1A2
SCHEMBL29374931 0.79 RAB9A (0.64) RAB9ANPC1ARCYP3A4CYP1A2

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 RAB9A 1896/4885NPC1 2028/4885AR 4099/4885
US-20090264467-A1 Agents and crystals for improving excretory potency of urinary bladder ACHE, BCHE, PDE7A RAB9A 763/4885NPC1 1992/4885AR 4185/4885
US-20020177593-A1 Agents and crystals for improving excretory potency of urinary bladder ACHE, BPHL, BCHE RAB9A 1071/4885NPC1 1932/4885AR 4382/4885
US-20070232538-A1 Uses of polypeptides NPSR1, SCTR, GRPR RAB9A 1065/4885NPC1 1752/4885AR 3328/4885
US-20060281725-A1 Agents and crystals for improving excretory potency of urinary bladder ACHE, BCHE, PDE7A RAB9A 812/4885NPC1 2214/4885AR 4323/4885
US-20060211675-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, ACE RAB9A 2823/4885NPC1 2458/4885AR 1264/4885
US-20040053826-A1 Uses of polypeptides NPSR1, SCTR, GRPR RAB9A 1065/4885NPC1 1752/4885AR 3328/4885
US-20030207863-A1 Preventives and remedies for central nervous system diseases UTS2R, PRSS12, CTSA RAB9A 3039/4885NPC1 469/4885AR 2665/4885

“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.