SCHEMBL5742872

SCHEMBL5742872

Cc1nc(N)sc1C1CC1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 1/20 0.48
MAPT P10636 4/20 0.42
HSD17B10 Q99714 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
GAA P10253 2/20 0.42
USP2 O75604 1/20 0.42
ALOX15 P16050 1/20 0.42
GFER P55789 1/20 0.42
CYP1A2 P05177 1/20 0.39
HRH2 P25021 1/20 0.39
HRH1 P35367 1/20 0.39
HRH4 Q9H3N8 1/20 0.39
ALDH1A1 P00352 4/20 0.36
FBP1 P09467 3/20 0.33
PDE10A Q9Y233 1/20 0.33
LCK P06239 1/20 0.33
MAPK1 P28482 1/20 0.32

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
SCHEMBL28228790 0.92 NOS1 (0.45) NOS1MAPTHSD17B10SMN1; SMN2GAA
SCHEMBL10701474 0.79 DRD2 (0.47)
SCHEMBL17481205 0.77 PDE10A (0.36) PDE10A
SCHEMBL10699833 0.72 DRD2 (0.46)
SCHEMBL25142947 0.70 MAPT (0.57) NOS1MAPTHSD17B10SMN1; SMN2GAA
SCHEMBL21610914 0.70 MEN1 (0.33) SMN1; SMN2ALDH1A1PDE10A
SCHEMBL21610924 0.70 ALDH1A1 (0.33) ALDH1A1PDE10A
SCHEMBL1912506 0.69 NOS1 (0.43) NOS1MAPTHSD17B10SMN1; SMN2CYP1A2
SCHEMBL21610915 0.68 MEN1 (0.35) HSD17B10SMN1; SMN2ALDH1A1PDE10A
SCHEMBL14849792 0.67 GABRA1 (0.46) HRH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023141262-A1 BAX ACTIVATORS AND USE THEREOF IPSEN PHARMA S.A.S. (FR) 2023-07-27 WO disclosed
US-20080015195-A1 Novel Heteroaromatic Inhibitors of Fructose-1,6-Bisphosphatase METABASIS THERAPEUTICS, INC. (US) 2008-01-17 US disclosed
US-20080015195-A1 Novel Heteroaromatic Inhibitors of Fructose-1,6-Bisphosphatase METABASIS THERAPEUTICS, INC. (US) 2008-01-17 US disclosed
US-7312219-B2 Heteroaromatic inhibitors of fructose 1,6-bisphosphatase METABASIS THERAPEUTICS, INC. (US) 2007-12-25 US disclosed
US-7312219-B2 Heteroaromatic inhibitors of fructose 1,6-bisphosphatase METABASIS THERAPEUTICS, INC. (US) 2007-12-25 US disclosed
US-20070232571-A1 Novel Heteroaromatic Inhibitors of Fructose-1,6-Bisphosphatase METABASIS THERAPEUTICS, INC. (US) 2007-10-04 US disclosed
US-20070232571-A1 Novel Heteroaromatic Inhibitors of Fructose-1,6-Bisphosphatase METABASIS THERAPEUTICS, INC. (US) 2007-10-04 US disclosed
EP-1515721-A4 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION MERCK & CO INC (US) 2006-07-26 EP disclosed
US-20050256117-A1 Ophthalmic compositions for treating ocular hypertension MERCK SHARP & DOHME CORP. 2005-11-17 US disclosed
EP-1515721-A1 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION Merck & Co., Inc. (US) 2005-03-23 EP disclosed
WO-2003105847-A1 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION MERCK & CO., INC. (US) 2003-12-24 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 (3 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-20080015195-A1 Novel Heteroaromatic Inhibitors of Fructose-1,6-Bisphosphatase FBP1, ALDOA, G6PC1 NOS1 3032/4885MAPT 2935/4885HSD17B10 497/4885
US-20050256117-A1 Ophthalmic compositions for treating ocular hypertension KCNN1, KCNN3, KCNN2 NOS1 305/4885MAPT 1089/4885HSD17B10 2457/4885
US-20070232571-A1 Novel Heteroaromatic Inhibitors of Fructose-1,6-Bisphosphatase FBP1, ALDOA, G6PC1 NOS1 3032/4885MAPT 2935/4885HSD17B10 497/4885

“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.