SCHEMBL4948792

SCHEMBL4948792

COC(C)(C)C.COc1cc([N+](=O)[O-])ccc1C(F)(F)F

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.54
TDP1 Q9NUW8 1/20 0.49
PKM P14618 1/20 0.46
LMNA P02545 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
PTGS2 P35354 2/20 0.41
CYP19A1 P11511 1/20 0.41
KMT2A Q03164 4/20 0.41
ALDH1A1 P00352 5/20 0.41
MEN1 O00255 3/20 0.41
GLA P06280 1/20 0.40
EPHX1 P07099 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
PDE7A Q13946 1/20 0.40

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
SCHEMBL447240 0.94 HTT (0.60) HTTTDP1PKMLMNASMN1; SMN2
SCHEMBL31075460 0.94 HTT (0.60) HTTTDP1PKMLMNASMN1; SMN2
SCHEMBL396813 0.83 HTT (0.62) HTTTDP1PKMLMNASMN1; SMN2
SCHEMBL446463 0.82 HTT (0.57) HTTTDP1PKMLMNASMN1; SMN2
SCHEMBL30038601 0.81 TDP1 (0.58) HTTTDP1PKMLMNASMN1; SMN2
SCHEMBL1494244 0.81 TDP1 (0.58) HTTTDP1PKMLMNASMN1; SMN2
SCHEMBL1012155 0.78 HTT (0.45) HTTTDP1LMNASMN1; SMN2CYP1A2
SCHEMBL2815081 0.77 HTT (0.54) HTTTDP1PKMLMNASMN1; SMN2
SCHEMBL28131718 0.75 TDP1 (0.51) HTTTDP1PKMLMNASMN1; SMN2
SCHEMBL21398693 0.74 MEN1 (0.53) HTTTDP1PKMLMNASMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7365085-B2 Compounds and methods SMITHKLINE BEECHAM CORPORATION (US) 2008-04-29 US disclosed
EP-1575495-A2 COMPOUNDS AND METHODS SmithKline Beecham Corporation (US) 2005-09-21 EP disclosed
US-20050113580-A1 Amide compounds and methods of using the same SMITHKLINE BEECHAM CORP 2005-05-26 US disclosed
WO-2003082205-A2 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2003-10-09 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-20050113580-A1 Amide compounds and methods of using the same NR1H2, NR1H3, PPARA HTT 4164/4885TDP1 4665/4885PKM 2302/4885

“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.