SCHEMBL7156309

SCHEMBL7156309

CCC1=CC(CNC(=S)NCCO)CCC1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.33
LMNA P02545 1/20 0.33
PKM P14618 1/20 0.33
MTNR1A P48039 3/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KMT2A Q03164 3/20 0.31
MEN1 O00255 2/20 0.31
HTR2C P28335 1/20 0.31
MTNR1B P49286 1/20 0.31
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
HTT P42858 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
SCHEMBL7157280 0.83 L3MBTL1 (0.37) L3MBTL1LMNAMTNR1ARAB9ASMN1; SMN2
SCHEMBL7157600 0.79 KMT2A (0.38) L3MBTL1LMNAPKMRAB9ASMN1; SMN2
SCHEMBL6539019 0.73 ALDH1A1 (0.30) ALDH1A1
SCHEMBL7154099 0.71 RAB9A (0.32) RAB9ASMN1; SMN2
SCHEMBL7595434 0.69 NOS3 (0.31)
SCHEMBL6538429 0.69 HTR2C (0.33) L3MBTL1LMNAPKMMTNR1ARAB9A
SCHEMBL7157260 0.67 L3MBTL1 (0.35) L3MBTL1LMNARAB9AKMT2AMEN1
SCHEMBL7151996 0.67 CA12 (0.43) L3MBTL1PKMRAB9ASMN1; SMN2KMT2A
SCHEMBL6538230 0.65 CA12 (0.46) L3MBTL1LMNAPKMSMN1; SMN2KMT2A
SCHEMBL6539544 0.65 CA12 (0.46) L3MBTL1LMNAPKMSMN1; SMN2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 L3MBTL1 1728/4885LMNA 4475/4885PKM 3198/4885

“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.