SCHEMBL4855167

SCHEMBL4855167

NS(=O)(=O)c1cc(C(=O)CCCCCl)cc2c1OCCO2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
ALDH1A1 P00352 2/20 0.38
TP53 P04637 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
KLF5 Q13887 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HPGD P15428 1/20 0.36
PKM P14618 1/20 0.36
TSHR P16473 1/20 0.36
CTNNB1 P35222 10/20 0.36
WNT3A P56704 4/20 0.36
CA2 P00918 2/20 0.36
CA1 P00915 1/20 0.36

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
SCHEMBL27611684 0.86 CA2 (0.47) NPC1RAB9ANFKB1NFKB2RELA
SCHEMBL5981762 0.86 NPC1 (0.41) NPC1RAB9ANFKB1NFKB2RELA
SCHEMBL4861134 0.84 PTGS2 (0.47) NPC1RAB9ANFKB1NFKB2RELA
SCHEMBL4860657 0.82 PTGS2 (0.41) NPC1RAB9ANFKB1NFKB2RELA
SCHEMBL13987484 0.78 SMN1; SMN2 (0.49) NPC1RAB9ANFKB1NFKB2RELA
Hydrochloric Acid SCHEMBL4862663 0.77 SMN1; SMN2 (0.48) NPC1RAB9ANFKB1NFKB2RELA
SCHEMBL4851983 0.77 SMN1; SMN2 (0.51) NPC1RAB9ANFKB1NFKB2RELA
SCHEMBL13987487 0.77 NPC1 (0.40) NPC1RAB9ANFKB1NFKB2RELA
SCHEMBL13987489 0.77 NPC1 (0.39) NPC1RAB9ANFKB1NFKB2RELA
Hydrochloric Acid SCHEMBL4860545 0.77 NPC1 (0.39) NPC1RAB9ANFKB1NFKB2RELA

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-20070099986-A1 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-05-03 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 (4 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 NPC1 1160/4885RAB9A 2301/4885NFKB1 2252/4885
US-20050197362-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, CHRM1 NPC1 1160/4885RAB9A 2301/4885NFKB1 2252/4885
US-20060211675-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, ACE NPC1 2458/4885RAB9A 2823/4885NFKB1 2353/4885
US-20070099986-A1 Preventives/remedies for urinary disturbance REN, GLS, ATP6V1B1 NPC1 1519/4885RAB9A 2112/4885NFKB1 1462/4885

“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.