SCHEMBL4861065

SCHEMBL4861065

CN1Cc2ccccc2N(C)S1(=O)=O

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 2/20 0.48
SLC6A2 P23975 11/20 0.41
SLC6A4 P31645 3/20 0.41
MAOA P21397 2/20 0.39
MAOB P27338 2/20 0.39
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B3 P37058 1/20 0.36
DRD2 P14416 1/20 0.35
DRD1 P21728 1/20 0.35
DRD4 P21917 1/20 0.35
DRD5 P21918 1/20 0.35
DRD3 P35462 1/20 0.35

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
SCHEMBL474773 0.74 USP30 (0.44) USP30SLC6A2SLC6A4MAOAALDH1A1
SCHEMBL3319807 0.72 DRD4 (0.42) USP30MAOAMAOBALDH1A1HPGD
SCHEMBL18756604 0.69 PER2 (0.46) SLC6A2SLC6A4MAOAMAOBALDH1A1
SCHEMBL8157650 0.68 BRD4 (0.50) MAOAMAOB
SCHEMBL10258273 0.68 MAOA (0.47) MAOAMAOBALDH1A1HPGDSMN1; SMN2
SCHEMBL904818 0.68 OPRL1 (0.48) USP30MAOAMAOBDRD2DRD1
SCHEMBL18034998 0.68
SCHEMBL15041804 0.67 NOTUM (0.44) USP30SLC6A2SLC6A4ALDH1A1
SCHEMBL16477918 0.67 NOTUM (0.44) ALDH1A1SMN1; SMN2HSD17B3
SCHEMBL4857931 0.65 MAOA (0.48) USP30SLC6A2SLC6A4MAOAMAOB

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 10 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

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 USP30 1632/4885SLC6A2 269/4885SLC6A4 790/4885
US-20050197362-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, CHRM1 USP30 1632/4885SLC6A2 269/4885SLC6A4 790/4885
US-20060211675-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, ACE USP30 1150/4885SLC6A2 294/4885SLC6A4 914/4885

“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.