SCHEMBL3826465

SCHEMBL3826465

NC(=O)OCC(=S)Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.50
PAM P19021 1/20 0.49
ALDH1A1 P00352 4/20 0.46
MAPK1 P28482 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CES2 O00748 1/20 0.45
CES1 P23141 1/20 0.45
AKR1B1 P15121 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
PKM P14618 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HIF1A Q16665 1/20 0.42
KMT2A Q03164 3/20 0.41
GAA P10253 1/20 0.41
HTT P42858 1/20 0.41
MEN1 O00255 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40

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
SCHEMBL28092757 0.81 LMNA (0.53) LMNAPAMALDH1A1MAPK1L3MBTL1
SCHEMBL7715841 0.74 CES1 (0.43) PAMALDH1A1MAPK1L3MBTL1CES2
SCHEMBL3480743 0.74 CES1 (0.48) LMNAPAMALDH1A1MAPK1L3MBTL1
Benzyl Carbamate SCHEMBL11791684 0.73 AKR1B1 (0.63) LMNAPAMALDH1A1MAPK1L3MBTL1
SCHEMBL7715836 0.73 CES1 (0.42) LMNAPAMALDH1A1MAPK1L3MBTL1
Benzyl Carbamate SCHEMBL30227887 0.72 ALDH1A1 (0.63) LMNAALDH1A1MAPK1L3MBTL1SMN1; SMN2
Benzyl Carbamate SCHEMBL10700633 0.72 ALDH1A1 (0.63) LMNAALDH1A1MAPK1L3MBTL1SMN1; SMN2
Benzyl Carbamate SCHEMBL30227819 0.72 ALDH1A1 (0.63) LMNAALDH1A1MAPK1L3MBTL1SMN1; SMN2
Benzyl Carbamate SCHEMBL1697 0.72 ALDH1A1 (0.63) LMNAALDH1A1MAPK1L3MBTL1SMN1; SMN2
Phenylacetic Acid SCHEMBL27915710 0.71 AKR1B1 (0.61) LMNAPAMALDH1A1MAPK1L3MBTL1

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
EP-2096111-A1 PYRAZOLES AND USE THEREOF AS DRUGS Japan Tobacco Inc. (JP) 2009-09-02 EP disclosed
US-20090036450-A1 PYRAZOLE COMPOUNDS AND USE THEREOF JAPAN TOBACCO, INC. (JP) 2009-02-05 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-20090036450-A1 PYRAZOLE COMPOUNDS AND USE THEREOF PYGL, GYS2, G6PC1 LMNA 2209/4885PAM 1981/4885ALDH1A1 775/4885

“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.