SCHEMBL355928

SCHEMBL355928

Cc1nccnc1C(=O)N(C)Cc1csc(N)n1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 1/20 0.42
GABRB2 P47870 1/20 0.42
HSD17B10 Q99714 1/20 0.42
SMN1; SMN2 Q16637 5/20 0.37
NPC1 O15118 4/20 0.37
RAB9A P51151 4/20 0.37
ALDH1A1 P00352 4/20 0.35
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
MAPT P10636 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ATM Q13315 1/20 0.35
PIK3CG P48736 1/20 0.34
GAA P10253 1/20 0.33
BAZ2A Q9UIF9 1/20 0.33

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
SCHEMBL355007 0.76 PI4KB (0.43) SMN1; SMN2GAA
Hydrochloric Acid SCHEMBL369119 0.74 RAB9A (0.40) GABRA5GABRB2HSD17B10SMN1; SMN2NPC1
SCHEMBL353386 0.74 NPC1 (0.47) SMN1; SMN2NPC1RAB9AALDH1A1MEN1
SCHEMBL16095606 0.71 GABRA5 (0.47) GABRA5GABRB2HSD17B10SMN1; SMN2NPC1
SCHEMBL353664 0.71 ROCK1 (0.41)
SCHEMBL353296 0.71 ROCK1 (0.51) MAPT
SCHEMBL352881 0.71 KMT2A (0.40) HSD17B10SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL5913878 0.69 HSD17B10 (0.48) GABRA5GABRB2HSD17B10SMN1; SMN2NPC1
Hydrochloric Acid SCHEMBL308085 0.67 HSD17B10 (0.47) GABRA5GABRB2HSD17B10SMN1; SMN2NPC1
SCHEMBL3613130 0.65 GABRA5 (0.58) GABRA5GABRB2HSD17B10SMN1; SMN2NPC1

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
EP-2200440-B1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS CRESTONE INC (US) 2017-07-19 EP disclosed
US-8148380-B2 Antibacterial amide and sulfonamide substituted heterocyclic urea compounds CRESTONE, INC. (US) 2012-04-03 US disclosed
US-20120015941-A1 Antibacterial Amide and Sulfonamide Substituted Heterocyclic Urea Compounds CRESTONE, INC. (US) 2012-01-19 US disclosed
EP-2200440-A1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS Crestone, Inc. (US) 2010-06-30 EP disclosed
WO-2009015208-A1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS REPLIDYNE, INC. (US) 2009-01-29 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-20120015941-A1 Antibacterial Amide and Sulfonamide Substituted Heterocyclic Urea Compounds NAAA, AADAC, RPSA GABRA5 3114/4885GABRB2 3303/4885HSD17B10 3778/4885

“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.