SCHEMBL17264265

SCHEMBL17264265

CC(C)(C)C(=O)C1CSC(N)=N1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 7/20 0.45
GABRB2 P47870 7/20 0.45
GABRA1 P14867 6/20 0.45
GABRR1 P24046 5/20 0.45
GABRA4 P48169 4/20 0.45
SLC6A12 P48065 1/20 0.43
SLC6A13 Q9NSD5 1/20 0.43
NOS1 P29475 1/20 0.36
NOS2 P35228 1/20 0.36
ALDH1A1 P00352 1/20 0.31
HBB P68871 1/20 0.31
HSD17B10 Q99714 1/20 0.31
HTR2B P41595 1/20 0.30

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
SCHEMBL13102074 0.78 GABRA1 (0.40) GABRA5GABRB2GABRA1GABRR1GABRA4
SCHEMBL9182927 0.74 GABRA1 (0.45) GABRA5GABRB2GABRA1GABRR1GABRA4
SCHEMBL11347906 0.68 MAPT (0.41) GABRA5GABRB2GABRA1GABRR1GABRA4
SCHEMBL9915348 0.67 GABRA1 (0.38) GABRA5GABRB2GABRA1GABRR1GABRA4
SCHEMBL20840785 0.65 GABRA1 (0.43) GABRA5GABRB2GABRA1GABRR1GABRA4
Hydrochloric Acid SCHEMBL6747817 0.65 NAPRT (0.40) GABRA5GABRB2GABRA1GABRR1GABRA4
SCHEMBL20195566 0.62
SCHEMBL10652835 0.62 GABRA5 (0.50) GABRA5GABRB2GABRA1GABRR1GABRA4
SCHEMBL18098014 0.61
SCHEMBL9054967 0.59

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
US-9381200-B2 Nitrogen containing compounds WOCKHARDT LIMITED (IN) 2016-07-05 US disclosed
US-20150328201-A1 NITROGEN CONTAINING COMPOUNDS WOCKHARDT LIMITED (IN) 2015-11-19 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-20150328201-A1 NITROGEN CONTAINING COMPOUNDS NOS2, NOS1, NCF1 GABRA5 3343/4885GABRB2 2856/4885GABRA1 3348/4885

“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.