SCHEMBL5046607

SCHEMBL5046607

O=C(O)Nc1cccc(CC(=O)N2CCC(c3cc(Cl)ccc3Cl)=N2)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 1/20 0.68
ORAI1 Q96D31 2/20 0.45
KCNQ2 O43526 2/20 0.39
MAPT P10636 6/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 1/20 0.38
TSHR P16473 1/20 0.38
RORC P51449 2/20 0.38
SENP1 Q9P0U3 1/20 0.38
ACKR3 P25106 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
HTT P42858 2/20 0.36
TP53 P04637 1/20 0.36
MAPK1 P28482 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
Hydrochloric Acid SCHEMBL5050480 0.99 MET (0.67) METORAI1KCNQ2MAPTNPC1
SCHEMBL13580043 0.86 MET (0.58) METORAI1KDM4EHTTTP53
SCHEMBL983930 0.84 MET (0.58) METORAI1ALDH1A1LMNA
SCHEMBL1427173 0.84 MET (0.58) METORAI1KDM4EMEN1KMT2A
SCHEMBL17004383 0.82 MET (0.49) METNPC1RAB9AMEN1KMT2A
SCHEMBL12922931 0.82 MET (1.00) METMAPTSMN1; SMN2ALDH1A1LMNA
SCHEMBL981593 0.80 MET (0.55) METORAI1MAPTNPC1RAB9A
SCHEMBL17004403 0.79 MET (0.45) METORAI1RAB9ASMN1; SMN2KDM4E
SCHEMBL1427063 0.78 MET (0.53) METORAI1ALDH1A1LMNA
SCHEMBL980992 0.78 MET (0.51) METORAI1KCNQ2MEN1KMT2A

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
EP-1917248-B1 1-ACYLDIHYDROPYRAZOL DERIVATIVES MERCK PATENT GMBH (DE) 2015-08-19 EP claimed
US-20080249095-A1 1-Acyldihydropyrazole Derivatives MERCK PATENT GESELLSCHAFT (DE) 2008-10-09 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-20080249095-A1 1-Acyldihydropyrazole Derivatives MET, FLT3, ERBB3 MET 1/4885ORAI1 4824/4885KCNQ2 2184/4885

“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.