SCHEMBL4502887

SCHEMBL4502887

CCOC(=O)c1cc(C(=O)OCC)n(-c2cccc(Br)c2)n1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.51
GAA P10253 1/20 0.51
SCN9A Q15858 1/20 0.51
MAPT P10636 3/20 0.48
TP53 P04637 3/20 0.47
THRB P10828 1/20 0.47
LMNA P02545 1/20 0.47
ELANE P08246 2/20 0.46
ALDH1A1 P00352 2/20 0.46
POLB P06746 1/20 0.46
MEN1 O00255 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
RPA1 P27694 1/20 0.46
CYP1A2 P05177 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL3831470 0.89 KMT2A (0.52) KMT2AGAAMAPTTP53THRB
SCHEMBL3830193 0.89 KMT2A (0.54) KMT2ASCN9AMAPTLMNAELANE
SCHEMBL16517015 0.86 KMT2A (0.50) KMT2AGAAMAPTTP53THRB
SCHEMBL4501553 0.84 ALDH1A1 (0.51) KMT2AGAASCN9AMAPTTP53
SCHEMBL30979685 0.80 KMT2A (0.54) KMT2AGAASCN9AMAPTTP53
SCHEMBL1765252 0.80 LMNA (0.53) TP53LMNAALDH1A1RPA1
SCHEMBL1881082 0.78 NOTUM (0.65) KMT2AGAAMAPTELANEALDH1A1
SCHEMBL6069484 0.78 PDE4D (0.72) KMT2AMAPTALDH1A1MEN1
SCHEMBL22920653 0.78 HTT (0.45) KMT2AMAPTELANEALDH1A1MEN1
SCHEMBL1765431 0.77 CHRNA7 (0.52) TP53THRBLMNARPA1

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-7589116-B2 Biaryl substituted pyrazoles as sodium channel blockers MERCK & CO. INC. (US) 2009-09-15 US disclosed
EP-1615895-A4 BIARYL SUBSTITUTED PYRAZOLES AS SODIUM CHANNEL BLOCKERS MERCK & CO INC (US) 2007-11-07 EP disclosed
US-20060183785-A1 Biaryl substituted pyrazoles as sodium channel blockers MERCK SHARP & DOHME CORP. 2006-08-17 US disclosed
EP-1615895-A1 BIARYL SUBSTITUTED PYRAZOLES AS SODIUM CHANNEL BLOCKERS Merck & Co., Inc. (US) 2006-01-18 EP disclosed
WO-2004092140-A1 BIARYL SUBSTITUTED PYRAZOLES AS SODIUM CHANNEL BLOCKERS MERCK & CO., INC. (US) 2004-10-28 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-20060183785-A1 Biaryl substituted pyrazoles as sodium channel blockers TRPV1, TRPA1, TRPV3 KMT2A 3453/4885GAA 1703/4885SCN9A 78/4885

“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.