SCHEMBL4116191

SCHEMBL4116191

COc1cccc(CCNC(=O)Nc2ccc3c(c2)c(N)nn3C(=O)OC(C)(C)C)c1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.54
HTT P42858 1/20 0.47
KMT2A Q03164 3/20 0.45
POLB P06746 2/20 0.44
MAPT P10636 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ROCK2 O75116 3/20 0.43
MEN1 O00255 2/20 0.41
PKM P14618 2/20 0.41
ALDH1A1 P00352 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
FPR2 P25090 1/20 0.40

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
SCHEMBL4123853 0.92 ROCK2 (0.51) CNR1KMT2APOLBMAPTROCK2
SCHEMBL3929530 0.87 CNR1 (0.52) CNR1HTTKMT2APOLBMAPT
SCHEMBL1229210 0.79 ROCK2 (0.51) KMT2APOLBTDP1ROCK2MEN1
SCHEMBL3933572 0.79 ROCK2 (0.49) CNR1KMT2APOLBMAPTROCK2
SCHEMBL12907088 0.78 MEN1 (0.52) KMT2APOLBMEN1NPC1RAB9A
SCHEMBL4116438 0.77 CNR1 (0.61) CNR1HTTKMT2APOLBMAPT
SCHEMBL922192 0.76 ANO1 (0.46)
SCHEMBL4116192 0.75 CNR1 (0.47) CNR1HTTKMT2AMEN1
SCHEMBL4119234 0.74 KMT2A (0.41) KMT2AROCK2PKMRAB9A
SCHEMBL28411219 0.72 CNR1 (0.69) CNR1HTTKMT2APOLBTDP1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8207210-B2 Aminoindazolylurea derivatives MERCK PATENT GMBH (DE) 2012-06-26 US disclosed
US-20090253767-A1 AMINOINDAZOLYLUREA DERIVATIVES MERCK PATENT GESELLSCHAFT (DE) 2009-10-08 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 (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-20090253767-A1 AMINOINDAZOLYLUREA DERIVATIVES SGK2, SGK1, SGK3 CNR1 2880/4885HTT 3713/4885KMT2A 2034/4885

“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.