SCHEMBL4891404

SCHEMBL4891404

O=C(CCCCCl)c1ccc2c(c1)NS(O)(O)N2

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
RAB9A P51151 2/20 0.35
MAPT P10636 2/20 0.35
LMNA P02545 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HSD17B3 P37058 6/20 0.34
HDAC1 Q13547 3/20 0.34
HDAC8 Q9BY41 2/20 0.34
ALDH1A1 P00352 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HDAC9 Q9UKV0 1/20 0.33
HDAC5 Q9UQL6 1/20 0.33

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
SCHEMBL4891391 0.88 MAPT (0.35) NPC1L3MBTL1RAB9AMAPTLMNA
SCHEMBL4886845 0.81 HTR1A (0.34) NPC1L3MBTL1RAB9AMAPTLMNA
SCHEMBL27593169 0.79 NPC1 (0.37) NPC1L3MBTL1RAB9AMAPTLMNA
SCHEMBL6034918 0.74 HIF1A (0.40) MAPTHDAC1HDAC3HDAC2HDAC6
Hydrochloric Acid SCHEMBL5983686 0.73 HIF1A (0.39) MAPTHDAC1HDAC3HDAC2HDAC6
SCHEMBL4886827 0.73 HTR1A (0.34) NPC1L3MBTL1RAB9AMAPTLMNA
SCHEMBL4862485 0.70 ACHE (0.36) L3MBTL1MAPT
SCHEMBL4851475 0.70 HTR1A (0.57) L3MBTL1HDAC1HDAC8HDAC3HDAC4
SCHEMBL11551446 0.69 TTR (0.42) NPC1L3MBTL1RAB9AMAPTLMNA
SCHEMBL11678805 0.69 L3MBTL1 (0.54) NPC1L3MBTL1RAB9AMAPTLMNA

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 NPC1 1160/4885L3MBTL1 2659/4885RAB9A 2301/4885
US-20050197362-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, CHRM1 NPC1 1160/4885L3MBTL1 2659/4885RAB9A 2301/4885
US-20060211675-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, ACE NPC1 2458/4885L3MBTL1 2341/4885RAB9A 2823/4885

“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.