SCHEMBL4855322

SCHEMBL4855322

COc1ccccc1CCN(CCCCC(=O)c1ccc(OC)c(NS(C)(=O)=O)c1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KDM4E B2RXH2 1/20 0.42
HPGD P15428 1/20 0.42
NR3C1 P04150 2/20 0.40
ACHE P22303 2/20 0.40
POLB P06746 2/20 0.39
BCHE P06276 1/20 0.39
CHRM2 P08172 1/20 0.39
PDE4D Q08499 1/20 0.38
ADRB3 P13945 1/20 0.38
LTB4R Q15722 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38

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
SCHEMBL4862142 0.99 ALDH1A1 (0.44) ALDH1A1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL4860212 0.92 MEN1 (0.42) ALDH1A1MEN1KMT2ASMN1; SMN2POLB
SCHEMBL4857352 0.91 MEN1 (0.42) ALDH1A1MEN1KMT2ASMN1; SMN2POLB
SCHEMBL4855165 0.91 SMN1; SMN2 (0.46) ALDH1A1MEN1KMT2ASMN1; SMN2NR3C1
SCHEMBL4858869 0.90 SMN1; SMN2 (0.45) ALDH1A1MEN1KMT2ASMN1; SMN2NR3C1
SCHEMBL4856412 0.90 ALDH1A1 (0.40) ALDH1A1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL4860745 0.89 ALDH1A1 (0.39) ALDH1A1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL13987491 0.84 SLC2A1 (0.51) ALDH1A1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL4859697 0.83 PKM (0.48) ALDH1A1ACHEBCHE
Hydrochloric Acid SCHEMBL4854887 0.83 SLC2A1 (0.50) ALDH1A1MEN1KMT2ASMN1; SMN2KDM4E

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 7 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-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
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 ALDH1A1 118/4885MEN1 2484/4885KMT2A 2316/4885
US-20050197362-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, CHRM1 ALDH1A1 118/4885MEN1 2484/4885KMT2A 2316/4885
US-20060211675-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, ACE ALDH1A1 212/4885MEN1 3753/4885KMT2A 1894/4885

“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.