SCHEMBL3547072

SCHEMBL3547072

CC(C)(C)c1cc(C(=O)O)c([N+](=O)[O-])[nH]1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.40
MEN1 O00255 2/20 0.39
HTT P42858 2/20 0.39
KMT2A Q03164 2/20 0.39
GALR3 O60755 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 4/20 0.36
MAPT P10636 2/20 0.36
TSHR P16473 3/20 0.36
TDP1 Q9NUW8 2/20 0.36
CYP3A4 P08684 1/20 0.36
ALOX15 P16050 1/20 0.36
PKM P14618 2/20 0.36
DTYMK P23919 1/20 0.35
POLB P06746 1/20 0.34
NPY1R P25929 1/20 0.34
NPY2R P49146 1/20 0.34
TP53 P04637 1/20 0.34
CYP1A2 P05177 1/20 0.34

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
SCHEMBL3545739 0.83 MAPK14 (0.39) MEN1HTTKMT2AGALR3SMN1; SMN2
SCHEMBL3241532 0.73 CYP1A2 (0.42) MEN1HTTKMT2AALDH1A1TSHR
SCHEMBL1465571 0.73 ALDH1A1 (0.40) MEN1HTTKMT2AGALR3SMN1; SMN2
SCHEMBL16418933 0.73 NOTUM (0.70) NOTUMMEN1KMT2AALDH1A1TDP1
SCHEMBL11511991 0.69 TSHR (0.45) MEN1HTTKMT2AGALR3SMN1; SMN2
SCHEMBL9747679 0.69 KMT2A (0.45) MEN1HTTKMT2AGALR3SMN1; SMN2
SCHEMBL28716826 0.68 DTYMK (0.46) MEN1HTTKMT2AGALR3SMN1; SMN2
SCHEMBL6363161 0.68 ALDH1A1 (0.60) MEN1HTTKMT2AGALR3SMN1; SMN2
SCHEMBL698724 0.68 HTT (0.56) MEN1HTTKMT2AGALR3SMN1; SMN2
SCHEMBL28591568 0.67 PKM (0.49) MEN1HTTKMT2AGALR3SMN1; 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7741479-B2 Urea inhibitors of MAP kinases LOCUS PHARMACEUTICALS, INC. (US) 2010-06-22 US disclosed
US-7741479-B2 Urea inhibitors of MAP kinases LOCUS PHARMACEUTICALS, INC. (US) 2010-06-22 US disclosed
EP-1828169-A2 UREA INHIBITORS OF MAP KINASES Locus Pharmaceuticals, Inc. (US) 2007-09-05 EP disclosed
US-20060167247-A1 Urea inhibitors of MAP kinases LOCUS PHARMACEUTICALS, INC. 2006-07-27 US disclosed
WO-2006062982-A2 UREA INHIBITORS OF MAP KINASES LOCUS PHARMACEUTICALS, INC. (US) 2006-06-15 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-20060167247-A1 Urea inhibitors of MAP kinases MAPK1, MAP3K1, MAP3K20 NOTUM 2492/4885MEN1 4186/4885HTT 3278/4885

“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.