SCHEMBL5875718

SCHEMBL5875718

Nc1nc(CC(=O)NCC2CC2)cs1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRA5 P31644 1/20 0.54
▸ GABRB2 P47870 1/20 0.54
▸ HSD17B10 Q99714 1/20 0.54
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ ADRB3 P13945 2/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ SLC6A4 P31645 1/20 0.41
▸ KCNH2 Q12809 1/20 0.41
▸ CACNA1C Q13936 1/20 0.41
▸ SCN5A Q14524 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ GAA P10253 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.38
▸ TSHR P16473 1/20 0.38
▸ MAPT P10636 1/20 0.38

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
SCHEMBL5240163 0.93 GABRA5 (0.50) GABRA5GABRB2HSD17B10SMN1; SMN2KDM4E
SCHEMBL5875715 0.83 KDM4E (0.42) GABRA5GABRB2HSD17B10SMN1; SMN2KDM4E
SCHEMBL5875667 0.79 HSD17B10 (0.60) GABRA5GABRB2HSD17B10SMN1; SMN2ADRB3
SCHEMBL10978725 0.79 GABRA5 (0.60) GABRA5GABRB2HSD17B10SMN1; SMN2ADRB3
SCHEMBL5240161 0.78 NPC1 (0.46) SMN1; SMN2KDM4ENPC1RAB9AALDH1A1
SCHEMBL9670620 0.77 GABRA5 (0.66) GABRA5GABRB2HSD17B10SMN1; SMN2ADRB3
SCHEMBL5244530 0.77 HSD17B10 (0.57) GABRA5GABRB2HSD17B10SMN1; SMN2ADRB3
SCHEMBL1342023 0.75 GABRA5 (0.64) GABRA5GABRB2HSD17B10SMN1; SMN2ADRB3
SCHEMBL8314141 0.75 GABRA5 (0.64) GABRA5GABRB2HSD17B10SMN1; SMN2ADRB3
SCHEMBL1970795 0.75 NOS1 (0.44) GABRA5GABRB2HSD17B10SMN1; SMN2ADRB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2006504796-A — — 2006-02-09 — — JP claimed
EP-1551815-A1 THIAZOLE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS Pfizer Products Inc. (US) 2005-07-13 — — EP claimed
US-20040152747-A1 Thiazole compounds for treatment of neurodegenerative disorders PFIZER INC 2004-08-05 — — US claimed
WO-2004033439-A1 THIAZOLE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PRODUCTS INC. (US) 2004-04-22 — — WO claimed
EP-1551815-A1 THIAZOLE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS Pfizer Products Inc. (US) 2005-07-13 — — EP disclosed
US-20040152747-A1 Thiazole compounds for treatment of neurodegenerative disorders PFIZER INC 2004-08-05 — — US disclosed
WO-2004033439-A1 THIAZOLE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PRODUCTS INC. (US) 2004-04-22 — — WO 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-20040152747-A1 Thiazole compounds for treatment of neurodegenerative disorders APP, PARK7, IAPP GABRA5 3135/4885GABRB2 2851/4885HSD17B10 2162/4885

“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.

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