SCHEMBL6541454

SCHEMBL6541454

OCCNC(=S)NCC1CC=CCC1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.35
HSD17B10 Q99714 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.31
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL7151996 0.75 CA12 (0.43) L3MBTL1MAPTRAB9ASMN1; SMN2
SCHEMBL6539544 0.74 CA12 (0.46) L3MBTL1MAPTSMN1; SMN2
SCHEMBL6538230 0.74 CA12 (0.46) L3MBTL1MAPTSMN1; SMN2
SCHEMBL7158399 0.71 L3MBTL1 (0.33) L3MBTL1
SCHEMBL7154099 0.70 RAB9A (0.32) RAB9ASMN1; SMN2
SCHEMBL942983 0.67 L3MBTL1 (0.43) L3MBTL1MAPTRAB9ASMN1; SMN2
SCHEMBL19606210 0.67 CA12 (0.33) KDM4EHSD17B10
SCHEMBL6541460 0.67 KDM4E (0.40) KDM4EHSD17B10SMN1; SMN2
SCHEMBL13123175 0.67 KDM4E (0.40) KDM4ERAB9A
SCHEMBL13456749 0.67 MEN1 (0.45) KDM4ESMN1; SMN2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1381593-A2 (2-HYDROXY)ETHYL-THIOUREAS USEFUL AS MODULATORS OF ALPHA2B ADRENERGIC RECEPTORS Allergan, Inc. (US) 2004-01-21 EP disclosed
US-6534542-B2 For alleviating chronic pain and allodynia and have no or only minimal cardivascular and/or sedatory activity ALLERGEN SALES, INC. 2003-03-18 US disclosed
US-20020161051-A1 (2-hydroxy)ethyl-thioureas useful as modulators of alpha2B adrenergic receptors ALLERGAN SALES, INC. 2002-10-31 US disclosed
WO-2002068384-A2 (2-HYDROXY)ETHYL-THIOUREAS USEFUL AS MODULATORS OF ALPHA2B ADRENERGIC RECEPTORS ALLERGAN, INC. (US) 2002-09-06 WO 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 (1 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-20020161051-A1 (2-hydroxy)ethyl-thioureas useful as modulators of alpha2B adrenergic receptors ADRA2B, ADRB2, ADRA2C KDM4E 2449/4885HSD17B10 1997/4885L3MBTL1 1728/4885

“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.