SCHEMBL4852587

SCHEMBL4852587

O=C(CCCCCl)c1cccs1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.70
ALDH1A1 P00352 5/20 0.69
LMNA P02545 3/20 0.69
KMT2A Q03164 3/20 0.69
MEN1 O00255 2/20 0.69
NPC1 O15118 2/20 0.69
RAB9A P51151 2/20 0.69
POLB P06746 2/20 0.69
GSK3B P49841 1/20 0.65
HDAC1 Q13547 1/20 0.64
L3MBTL1 Q9Y468 3/20 0.56
PKM P14618 1/20 0.56
TSHR P16473 1/20 0.56
MAPK1 P28482 1/20 0.56
HTT P42858 1/20 0.56
HSD17B10 Q99714 1/20 0.56
CTNNB1 P35222 5/20 0.54
WNT3A P56704 4/20 0.51
MAPT P10636 1/20 0.51
NPSR1 Q6W5P4 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
SCHEMBL2209532 0.95 ALDH1A1 (0.71) HPGDALDH1A1LMNAKMT2AMEN1
SCHEMBL960143 0.87 ALDH1A1 (0.77) HPGDALDH1A1LMNAKMT2AMEN1
SCHEMBL22721189 0.87 ALDH1A1 (0.83) HPGDALDH1A1LMNAKMT2AMEN1
SCHEMBL2415331 0.84 HPGD (0.96) HPGDALDH1A1LMNAKMT2AMEN1
SCHEMBL2216212 0.82 ALDH1A1 (1.00) HPGDALDH1A1LMNAKMT2AMEN1
SCHEMBL3383085 0.82 HPGD (1.00) HPGDALDH1A1LMNAKMT2AMEN1
SCHEMBL27593116 0.82 HPGD (0.70) HPGDALDH1A1LMNAKMT2AMEN1
SCHEMBL3192172 0.82 HPGD (0.70) HPGDALDH1A1LMNAKMT2AMEN1
SCHEMBL5179083 0.82 HPGD (1.00) HPGDALDH1A1LMNAKMT2AMEN1
SCHEMBL18906067 0.81 ALDH1A1 (0.74) HPGDALDH1A1LMNAKMT2AMEN1

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7462628-B2 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-09 US disclosed
US-7462628-B2 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-09 US disclosed
US-7462628-B2 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-09 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-20060063769-A1 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-03-23 US disclosed
US-20050197362-A1 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-09-08 US disclosed
CN-1589153-A Prevention or treatment of urinary disorders TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2005-03-02 CN disclosed
EP-1466625-A1 PREVENTIVES/REMEDIES FOR URINARY DISTURBANCE Takeda Chemical Industries, Ltd. (JP) 2004-10-13 EP disclosed
EP-0958290-B1 1,4-DIHYDROPYRIDIN DERIVATIVES AND THEIR USE IN THERAPY LAFON LABOR (FR) 2002-07-31 EP disclosed
US-6166035-A 1,4-dihydropyridine derivatives and their use in therapy LABORATOIRE L. LAFON (FR) 2000-12-26 US disclosed
EP-0958290-A1 1,4-DIHYDROPYRIDIN DERIVATIVES AND THEIR USE IN THERAPY LABORATOIRE L. LAFON (FR) 1999-11-24 EP disclosed
WO-1998031680-A1 1,4-DIHYDROPYRIDIN DERIVATIVES AND THEIR USE IN THERAPY LABORATOIRE L. LAFON (FR) 1998-07-23 WO 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 (3 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-20060063769-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, CHRM1 HPGD 276/4885ALDH1A1 118/4885LMNA 1921/4885
US-20050197362-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, CHRM1 HPGD 276/4885ALDH1A1 118/4885LMNA 1921/4885
US-20060211675-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, ACE HPGD 267/4885ALDH1A1 212/4885LMNA 2218/4885

“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.