SCHEMBL13603756

SCHEMBL13603756

O=C(NCc1cccc(Oc2cccnc2)c1)Nc1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 5/20 0.73
SMN1; SMN2 Q16637 1/20 0.64
L3MBTL1 Q9Y468 1/20 0.64
LMNA P02545 2/20 0.58
NPC1 O15118 1/20 0.58
TSHR P16473 1/20 0.57
ROCK2 O75116 1/20 0.56
CYP2C9 P11712 1/20 0.56
HTT P42858 2/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
IMPDH2 P12268 1/20 0.55
POLB P06746 1/20 0.54
KDM4E B2RXH2 1/20 0.54
ALDH1A1 P00352 1/20 0.54
MAPT P10636 1/20 0.54

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
SCHEMBL13603754 0.88 NAMPT (0.80) NAMPTSMN1; SMN2L3MBTL1LMNANPC1
SCHEMBL13603751 0.88 NAMPT (0.65) NAMPTSMN1; SMN2L3MBTL1LMNAROCK2
SCHEMBL28111895 0.84 NAMPT (1.00) NAMPTSMN1; SMN2L3MBTL1LMNACYP2C9
SCHEMBL11614852 0.82 SMN1; SMN2 (0.81) NAMPTSMN1; SMN2L3MBTL1LMNANPC1
Ammonia Solution, Strong SCHEMBL29131270 0.81 SMN1; SMN2 (0.79) NAMPTSMN1; SMN2L3MBTL1LMNANPC1
SCHEMBL103497 0.81 NAMPT (0.63) NAMPTSMN1; SMN2L3MBTL1LMNANPC1
SCHEMBL166124 0.81 NAMPT (0.78) NAMPT
SCHEMBL14471485 0.80 L3MBTL1 (0.72) NAMPTSMN1; SMN2L3MBTL1LMNANPC1
Sulfur Dioxide SCHEMBL28161711 0.79 SMN1; SMN2 (0.75) NAMPTSMN1; SMN2L3MBTL1LMNANPC1
SCHEMBL2704691 0.78 MAPT (0.66) NAMPTSMN1; SMN2L3MBTL1NPC1ROCK2

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 1163/4885SMN1; SMN2 2976/4885L3MBTL1 3485/4885
US-20130158076-A1 Methylene Urea Derivatives BRAF, RAF1, CMPK1 NAMPT 1163/4885SMN1; SMN2 2976/4885L3MBTL1 3485/4885

“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.