SCHEMBL4851983

SCHEMBL4851983

NS(=O)(=O)c1cc(C(=O)CCCCN(CCc2ccccc2)C(=O)O)cc2c1OCCO2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.51
TDP1 Q9NUW8 3/20 0.51
ALDH1A1 P00352 2/20 0.51
LMNA P02545 2/20 0.51
TP53 P04637 1/20 0.51
MAPT P10636 1/20 0.51
KLF5 Q13887 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
NPC1 O15118 5/20 0.41
RAB9A P51151 5/20 0.41
CASP3 P42574 2/20 0.41
SENP8 Q96LD8 2/20 0.41
SENP7 Q9BQF6 2/20 0.41
SENP6 Q9GZR1 2/20 0.41
HPGD P15428 1/20 0.41
FAAH O00519 1/20 0.41
CA12 O43570 8/20 0.38
CA1 P00915 8/20 0.38
CA2 P00918 8/20 0.38
CA4 P22748 4/20 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
SCHEMBL4862735 0.89 SMN1; SMN2 (0.46) SMN1; SMN2TDP1ALDH1A1LMNATP53
SCHEMBL4861300 0.88 NPC1 (0.41) SMN1; SMN2TDP1ALDH1A1LMNATP53
SCHEMBL4860428 0.86 CTNNB1 (0.40) SMN1; SMN2TDP1ALDH1A1LMNATP53
SCHEMBL5577155 0.84 SMN1; SMN2 (0.37) SMN1; SMN2TDP1ALDH1A1LMNATP53
SCHEMBL13987484 0.84 SMN1; SMN2 (0.49) SMN1; SMN2TDP1ALDH1A1LMNATP53
Hydrochloric Acid SCHEMBL4862663 0.83 SMN1; SMN2 (0.48) SMN1; SMN2TDP1ALDH1A1LMNATP53
SCHEMBL4861424 0.78 NPC1 (0.38) SMN1; SMN2TDP1ALDH1A1LMNATP53
SCHEMBL4851986 0.78 ALDH1A1 (0.32) SMN1; SMN2TDP1ALDH1A1LMNATP53
SCHEMBL4855046 0.77 CTNNB1 (0.39) SMN1; SMN2TDP1ALDH1A1LMNATP53
SCHEMBL4855167 0.77 NPC1 (0.43) SMN1; SMN2TDP1ALDH1A1LMNATP53

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 5 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-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
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 (2 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 SMN1; SMN2 1472/4885TDP1 989/4885ALDH1A1 118/4885
US-20060211675-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, ACE SMN1; SMN2 1418/4885TDP1 1472/4885ALDH1A1 212/4885

“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.