SCHEMBL4495800

SCHEMBL4495800

c1ccc2c(c1)CCCc1ccccc1S2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.52
HPGD P15428 4/20 0.47
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 2/20 0.47
MAOA P21397 3/20 0.43
CYP2A6 P11509 1/20 0.43
MAOB P27338 1/20 0.43
MAPT P10636 4/20 0.39
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
ADORA3 P0DMS8 2/20 0.39
SLC6A2 P23975 2/20 0.39
SLC6A3 Q01959 2/20 0.39
GAA P10253 2/20 0.39
HTR2C P28335 2/20 0.39
CYP1A2 P05177 1/20 0.39
BCHE P06276 1/20 0.39
POLB P06746 1/20 0.39
CYP3A4 P08684 1/20 0.39
ALOX15 P16050 1/20 0.39

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
SCHEMBL18661331 0.92 TSHR (0.57) TSHRHPGDALDH1A1KDM4EMAOA
SCHEMBL4488551 0.89 ALDH1A1 (0.50) TSHRHPGDALDH1A1KDM4EMAOA
SCHEMBL10437705 0.84 CYP2A6 (0.45) TSHRHPGDALDH1A1KDM4EMAOA
Thioxanthene SCHEMBL8717 0.78 ALDH1A1 (0.61) TSHRHPGDALDH1A1KDM4EMAOA
Thioxanthene SCHEMBL29398766 0.78 ALDH1A1 (0.61) TSHRHPGDALDH1A1KDM4EMAOA
SCHEMBL11097250 0.77 DRD1 (0.59) TSHRMAOAMAOBADORA3SLC6A2
SCHEMBL29354295 0.76
SCHEMBL3057782 0.76 TSHR (0.86) TSHRHPGDMAOACYP2A6MAOB
SCHEMBL451157 0.76 TSHR (0.86) TSHRHPGDMAOACYP2A6MAOB
SCHEMBL9662 0.76

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 31 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-20070027138-A1 Derivatives and analogs of galanthamine SANOCHEMIA PHARMAZEUTIKA AKTIENGESELLSCHAFT 2007-02-01 US disclosed
US-20070021391-A1 Preventive/remedy for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-01-25 US disclosed
US-7166588-B2 Derivatives and analogs of galanthamine SANOCHEMIA PHARMAZEUTIKA AKTIENGESELLSCHAFT (AT) 2007-01-23 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-20030199493-A1 Novel derivatives and analogues of galanthamin SANOCHEMIA PHARMAZEUTIKA AKTIENGESELLSCHAFT (AT) 2003-10-23 US 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-1181294-A1 NOVEL DERIVATIVES AND ANALOGUES OF GALANTHAMIN Sanochemia Pharmazeutika Aktiengesellschaft (AT) 2002-02-27 EP disclosed
WO-2001074820-A1 NOVEL DERIVATIVES AND ANALOGUES OF GALANTHAMIN SANOCHEMIA PHARMAZEUTIKA AKTIENGESELLSCHAFT (AT) 2001-10-11 WO disclosed
EP-1118322-A1 DRUGS FOR IMPROVING VESICAL EXCRETORY STRENGTH Takeda Chemical Industries, Ltd. (JP) 2001-07-25 EP disclosed
US-5527800-A A 4H-PYRROLO(3,2,1-IJ)QUINOLIN-8-YL DERIVATIVE ADMINISTERED FOR THERAPY OR PROPHYLAXIS OF SENILE DEMENTIA TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-06-18 US disclosed
EP-0607864-A2 Tricyclic condensed heterocyclic compounds for the treatment of senile dementic Takeda Chemical Industries, Ltd. (JP) 1994-07-27 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 (7 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 TSHR 3362/4885HPGD 383/4885ALDH1A1 346/4885
US-20070027138-A1 Derivatives and analogs of galanthamine GALR2, GALR1, GALR3 TSHR 1014/4885HPGD 1021/4885ALDH1A1 2196/4885
US-20090264467-A1 Agents and crystals for improving excretory potency of urinary bladder ACHE, BCHE, PDE7A TSHR 4261/4885HPGD 994/4885ALDH1A1 1143/4885
US-20020177593-A1 Agents and crystals for improving excretory potency of urinary bladder ACHE, BPHL, BCHE TSHR 4603/4885HPGD 716/4885ALDH1A1 1185/4885
US-20030199493-A1 Novel derivatives and analogues of galanthamin GALR1, GALNT1, GALK1 TSHR 4047/4885HPGD 1506/4885ALDH1A1 1732/4885
US-20070232538-A1 Uses of polypeptides NPSR1, SCTR, GRPR TSHR 52/4885HPGD 4273/4885ALDH1A1 3946/4885
US-20060281725-A1 Agents and crystals for improving excretory potency of urinary bladder ACHE, BCHE, PDE7A TSHR 4268/4885HPGD 987/4885ALDH1A1 1245/4885

“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.