SCHEMBL4495847

SCHEMBL4495847

c1ccc2sc3nc4ccccc4c-3nc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 11/20 0.53
NPC1 O15118 10/20 0.53
KDM4E B2RXH2 9/20 0.53
ALDH1A1 P00352 5/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
TP53 P04637 2/20 0.53
HSD17B10 Q99714 2/20 0.53
TSHR P16473 1/20 0.53
MAPT P10636 6/20 0.51
L3MBTL1 Q9Y468 4/20 0.51
GAA P10253 3/20 0.51
ILK Q13418 3/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
GLA P06280 2/20 0.51
APP P05067 2/20 0.51
TDP1 Q9NUW8 1/20 0.51
LMNA P02545 1/20 0.51
MMP9 P14780 1/20 0.51
MMP8 P22894 1/20 0.51

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
SCHEMBL29236215 0.87 MEN1 (0.53) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL827403 0.81 RAB9A (0.67) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL28477453 0.80 MEN1 (0.53) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL30494423 0.80 MEN1 (0.53) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
Hydrogen Sulfide SCHEMBL16859912 0.79 RAB9A (0.64) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL10009367 0.78 KDM4E (0.52) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL10009918 0.78 RAB9A (0.57) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL1128092 0.78 NPC1 (0.57) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
2-Phenylbenzo[D]Thiazole SCHEMBL30988131 0.78 RAB9A (0.75) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
2-Phenylbenzo[D]Thiazole SCHEMBL94005 0.78 RAB9A (0.75) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2

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 2028/4885KDM4E 3540/4885
US-20090264467-A1 Agents and crystals for improving excretory potency of urinary bladder ACHE, BCHE, PDE7A RAB9A 763/4885NPC1 1992/4885KDM4E 562/4885
US-20020177593-A1 Agents and crystals for improving excretory potency of urinary bladder ACHE, BPHL, BCHE RAB9A 1071/4885NPC1 1932/4885KDM4E 306/4885
US-20070232538-A1 Uses of polypeptides NPSR1, SCTR, GRPR RAB9A 1065/4885NPC1 1752/4885KDM4E 4438/4885
US-20060281725-A1 Agents and crystals for improving excretory potency of urinary bladder ACHE, BCHE, PDE7A RAB9A 812/4885NPC1 2214/4885KDM4E 460/4885
US-20060211675-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, ACE RAB9A 2823/4885NPC1 2458/4885KDM4E 3707/4885
US-20040053826-A1 Uses of polypeptides NPSR1, SCTR, GRPR RAB9A 1065/4885NPC1 1752/4885KDM4E 4438/4885
US-20030207863-A1 Preventives and remedies for central nervous system diseases UTS2R, PRSS12, CTSA RAB9A 3039/4885NPC1 469/4885KDM4E 4866/4885

“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.