SCHEMBL4576362

SCHEMBL4576362

CCOC(=O)c1c(NC(=O)c2ccc(Cl)cc2)nc(SC)n1Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.45
ALDH1A1 P00352 4/20 0.43
HTT P42858 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
RAB9A P51151 3/20 0.43
NPC1 O15118 2/20 0.43
GAA P10253 1/20 0.43
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
LMNA P02545 1/20 0.42
CYP1A2 P05177 1/20 0.41
DRD2 P14416 2/20 0.41
TBXA2R P21731 2/20 0.41
P2RX3 P56373 1/20 0.41
KDR P35968 1/20 0.41
TSHR P16473 1/20 0.41
SIRT3 Q9NTG7 1/20 0.41

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
SCHEMBL13325305 0.94 HTT (0.49) ALDH1A1HTTADORA3SMN1; SMN2RAB9A
SCHEMBL4576601 0.91 ADORA3 (0.49) CYP19A1ALDH1A1HTTADORA3SMN1; SMN2
SCHEMBL13325250 0.91 PDE6D (0.49) ALDH1A1HTTADORA3SMN1; SMN2RAB9A
SCHEMBL13325204 0.90 ALDH1A1 (0.55) ALDH1A1ADORA3NPC1GAAMAPT
SCHEMBL4576818 0.90 SMN1; SMN2 (0.44) ALDH1A1HTTADORA3SMN1; SMN2RAB9A
SCHEMBL13325279 0.90 ALDH1A1 (0.48) ALDH1A1HTTADORA3MAPTKMT2A
SCHEMBL13325140 0.90 ADORA3 (0.51) ALDH1A1ADORA3RAB9ACYP1A2TSHR
SCHEMBL13325245 0.89 CACNA1G (0.47) CYP19A1ALDH1A1ADORA3GAAMEN1
SCHEMBL13325193 0.89 MAPT (0.46) ALDH1A1HTTADORA3SMN1; SMN2RAB9A
SCHEMBL13325272 0.89 MAPT (0.48) ALDH1A1HTTSMN1; SMN2RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7718686-B2 Imidazole variants as modulators of GABA receptor for the treatment of GI disorders ASTRAZENECA AB (SE) 2010-05-18 US disclosed
US-7718686-B2 Imidazole variants as modulators of GABA receptor for the treatment of GI disorders ASTRAZENECA AB (SE) 2010-05-18 US disclosed
US-20080269216-A1 Imidazole Variants as Modulators of Gaba Receptor For the Treatment of Gi Disorders ASTRAZENECA AB (SE) 2008-10-30 US disclosed
US-20080269216-A1 Imidazole Variants as Modulators of Gaba Receptor For the Treatment of Gi Disorders ASTRAZENECA AB (SE) 2008-10-30 US disclosed
US-20080269216-A1 Imidazole Variants as Modulators of Gaba Receptor For the Treatment of Gi Disorders ASTRAZENECA AB (SE) 2008-10-30 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-20080269216-A1 Imidazole Variants as Modulators of Gaba Receptor For the Treatment of Gi Disorders GABRB1, GABBR2, GABBR1 CYP19A1 3764/4885ALDH1A1 1225/4885HTT 4429/4885

“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.