SCHEMBL3048135

SCHEMBL3048135

CC(C)(C)c1csc(C(C(=O)O)(C(=O)O)C(C)(C)C)c1[N+](=O)[O-]

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.35
GALR3 O60755 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
GLRA3 O75311 1/20 0.30
GLRB P48167 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
SCHEMBL3048199 0.75 GLRA3 (0.33) GLRA3GLRB
SCHEMBL5004221 0.67 SMN1; SMN2 (0.40) MEN1GALR3HTTKMT2ASMN1; SMN2
SCHEMBL3016189 0.67 TDP1 (0.35) MEN1GALR3HTTKMT2ASMN1; SMN2
SCHEMBL12207813 0.64 ALDH1A1 (0.41) MEN1GALR3HTTKMT2ASMN1; SMN2
SCHEMBL10813783 0.61 TSHR (0.54) MEN1GALR3HTTKMT2ASMN1; SMN2
SCHEMBL4924664 0.61 SMN1; SMN2 (0.47) MEN1GALR3HTTKMT2ASMN1; SMN2
SCHEMBL397236 0.60 SMN1; SMN2 (0.61) MEN1GALR3HTTKMT2ASMN1; SMN2
SCHEMBL2437573 0.60 AR (0.35) HTTSMN1; SMN2ALDH1A1TSHRTDP1
SCHEMBL5587447 0.60 MEN1 (0.50) MEN1GALR3HTTKMT2ASMN1; SMN2
SCHEMBL8768833 0.58 PKM (0.44) MEN1GALR3HTTKMT2ASMN1; SMN2

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-20100222326-A1 New Heterocyclic Derivatives Useful For The Treatment of CNS Disorders UCB PHARMA, S.A. (BE) 2010-09-02 US claimed
US-20100222326-A1 New Heterocyclic Derivatives Useful For The Treatment of CNS Disorders UCB PHARMA, S.A. (BE) 2010-09-02 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-20100222326-A1 New Heterocyclic Derivatives Useful For The Treatment of CNS Disorders CNR2, CNR1, SLC18A2 MEN1 1636/4885GALR3 212/4885HTT 115/4885

“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.