SCHEMBL13603751

SCHEMBL13603751

O=C(NCc1cccc(Oc2ccncc2)c1)Nc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 10/20 0.65
HTT P42858 2/20 0.65
ROCK2 O75116 3/20 0.65
ROCK1 Q13464 2/20 0.60
RAF1 P04049 1/20 0.55
IMPDH2 P12268 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
LMNA P02545 1/20 0.52
CYP3A4 P08684 1/20 0.52
MMP13 P45452 1/20 0.52
MAPK14 Q16539 1/20 0.52
HIF1A Q16665 1/20 0.52

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
SCHEMBL13603756 0.88 NAMPT (0.73) NAMPTHTTROCK2IMPDH2SMN1; SMN2
SCHEMBL13603748 0.87 HTT (0.76) NAMPTHTTROCK2ROCK1IMPDH2
SCHEMBL11615046 0.85 HTT (0.76) NAMPTHTTROCK2ROCK1SMN1; SMN2
SCHEMBL16990619 0.80 HTT (0.64) NAMPTHTTROCK2ROCK1
SCHEMBL101750 0.80 RET (0.57) NAMPTRAF1MAPK14
SCHEMBL15575313 0.80 NAMPT (0.61) NAMPTHTTROCK2RAF1SMN1; SMN2
SCHEMBL15573138 0.80 RAF1 (0.74) NAMPTHTTROCK2ROCK1RAF1
SCHEMBL11616834 0.80 HTT (1.00) NAMPTHTTROCK2ROCK1SMN1; SMN2
SCHEMBL5639230 0.80 HTT (0.88) NAMPTHTTROCK2ROCK1IMPDH2
SCHEMBL2704691 0.80 MAPT (0.66) NAMPTHTTROCK2ROCK1SMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130158076-A1 Methylene Urea Derivatives MERCK PATENT GMBH (DE) 2013-06-20 US disclosed
US-8410143-B2 Methylene urea derivatives MERCK PATENT GMBH (DE) 2013-04-02 US disclosed
US-20090298885-A1 METHYLENE UREA DERIVATIVES MERCK PATENT GMBH (DE) 2009-12-03 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 (2 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-20090298885-A1 METHYLENE UREA DERIVATIVES BRAF, RAF1, CMPK1 NAMPT 1163/4885HTT 3842/4885ROCK2 997/4885
US-20130158076-A1 Methylene Urea Derivatives BRAF, RAF1, CMPK1 NAMPT 1163/4885HTT 3842/4885ROCK2 997/4885

“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.