SCHEMBL7152001

SCHEMBL7152001

O=C(NCCO)N(S)CC1CCCC1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.38
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
EPHX1 P07099 5/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP3 P08254 1/20 0.32
MMP9 P14780 1/20 0.32
MMP8 P22894 1/20 0.32
CA9 Q16790 1/20 0.32
CYP2D6 P10635 1/20 0.31
EPHX2 P34913 1/20 0.30
HPGD P15428 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
SCHEMBL7156027 0.98 ALOX5 (0.40) ALOX5KMT2AMEN1USP2ALDH1A1
SCHEMBL7153781 0.98 ALOX5 (0.40) ALOX5KMT2AMEN1USP2ALDH1A1
SCHEMBL6541460 0.79 KDM4E (0.40) ALDH1A1
SCHEMBL7154101 0.74
SCHEMBL7157067 0.74 EPHX1 (0.36) KMT2AMEN1USP2ALDH1A1MAPT
SCHEMBL11296232 0.71 MEN1 (0.43) KMT2AMEN1USP2ALDH1A1MAPT
SCHEMBL7156684 0.70 HTT (0.30)
SCHEMBL7153828 0.69 POLB (0.31) EPHX1
SCHEMBL13527977 0.68 EPHX2 (0.54) KMT2AALDH1A1EPHX1EPHX2HPGD
SCHEMBL3567122 0.68 ALOX5 (0.62) ALOX5KMT2AEPHX1CYP2D6HPGD

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 ALOX5 1405/4885KMT2A 1750/4885MEN1 4841/4885

“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.