SCHEMBL5470596

SCHEMBL5470596

CCCCCC(C(N)=O)c1ccc(Cl)nn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.40
KMT2A Q03164 1/20 0.40
MMP9 P14780 2/20 0.36
MMP8 P22894 1/20 0.36
MMP13 P45452 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
MAPT P10636 2/20 0.33
LAP3 P28838 2/20 0.33
PANK3 Q9H999 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
SPHK1 Q9NYA1 1/20 0.32
HTT P42858 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CNR2 P34972 1/20 0.31
PPARG P37231 1/20 0.31
PPARA Q07869 1/20 0.31
MMP2 P08253 1/20 0.31

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
SCHEMBL4938951 0.72 CYP2C19 (0.46) LMNAKMT2AMMP9MMP8MMP13
SCHEMBL9260962 0.72 LMNA (0.46) LMNAKMT2AMAPTPANK3ALDH1A1
SCHEMBL675017 0.72 MMP9 (0.56) LMNAKMT2AMMP9MMP8MMP13
SCHEMBL9395046 0.72 MMP9 (0.56) LMNAKMT2AMMP9MMP8MMP13
SCHEMBL18248588 0.71 CYP2C19 (0.45) LMNAKMT2AMMP9MMP8MMP13
SCHEMBL18248622 0.71 CYP2C19 (0.45) LMNAKMT2AMMP9MMP8MMP13
SCHEMBL1849342 0.71 ATM (0.39) LMNAKMT2AMMP9MMP8MMP13
SCHEMBL18248539 0.71 PPARG (0.41) LMNAKMT2ASMN1; SMN2MAPTALDH1A1
SCHEMBL18248615 0.71 PPARG (0.41) LMNAKMT2ASMN1; SMN2MAPTALDH1A1
SCHEMBL5450890 0.71 ALDH1A1 (0.46) LMNAKMT2AALDH1A1GAA

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-7271181-B2 Inhibitors of p38 VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-09-18 US disclosed
EP-1392300-A1 2,5-DISUBSTITUTED PYRIDINE, PYRIMIDINE, PYRIDAZINE AND 1, 2, 4-TRIAZINE DERIVATIVES FOR USE AS P38 INHIBITORS Vertex Pharmaceuticals Incorporated (US) 2004-03-03 EP disclosed
US-20030096817-A1 Inhibitors of p38 VERTEX PHARMACEUTICALS INCORPORATED 2003-05-22 US disclosed
WO-2002092087-A1 2,5-DISUBSTITUTED PYRIDINE, PYRIMIDINE, PYRIDAZINE AND 1, 2, 4-TRIAZINE DERIVATIVES FOR USE AS P38 INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2002-11-21 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-20030096817-A1 Inhibitors of p38 MAPK1, MAPK3, MAP3K1 LMNA 2007/4885KMT2A 3956/4885MMP9 940/4885

“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.