SCHEMBL3826463

SCHEMBL3826463

O=C(NCC=S)OCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
HTT P42858 1/20 0.56
TGM2 P21980 1/20 0.54
POLB P06746 1/20 0.53
KEAP1 Q14145 2/20 0.52
NFE2L2 Q16236 2/20 0.52
CA12 O43570 2/20 0.50
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CA9 Q16790 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.49
PLAU P00749 1/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
ALDH1A1 P00352 2/20 0.49
MAPT P10636 1/20 0.48
KDM1A O60341 1/20 0.48
MAOA P21397 1/20 0.48
MAOB P27338 1/20 0.48

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
SCHEMBL867055 0.85 LMNA (0.61) LMNASMN1; SMN2HTTTGM2POLB
SCHEMBL17244018 0.83 LMNA (0.59) LMNASMN1; SMN2HTTTGM2POLB
SCHEMBL195242 0.83 TGM2 (0.61) LMNASMN1; SMN2HTTTGM2POLB
SCHEMBL7657748 0.83 LMNA (0.59) LMNASMN1; SMN2HTTTGM2POLB
SCHEMBL8530400 0.82 LMNA (0.58) LMNASMN1; SMN2HTTTGM2POLB
SCHEMBL28661503 0.82 SMN1; SMN2 (0.58) LMNASMN1; SMN2HTTTGM2POLB
SCHEMBL15216787 0.81 SMN1; SMN2 (0.56) LMNASMN1; SMN2HTTTGM2POLB
SCHEMBL19358564 0.81 LMNA (0.56) LMNASMN1; SMN2HTTTGM2POLB
SCHEMBL21620361 0.81 LMNA (0.56) LMNASMN1; SMN2HTTTGM2POLB
SCHEMBL27705381 0.81 LMNA (0.56) LMNASMN1; SMN2HTTTGM2POLB

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 2209/4885SMN1; SMN2 4002/4885HTT 4408/4885

“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.