SCHEMBL5050486

SCHEMBL5050486

CN(C)CC[CH]c1cccc(CC(=O)N2CCC(c3cc(Cl)ccc3Cl)=N2)c1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MET P08581 1/20 0.51
ORAI1 Q96D31 4/20 0.40
OPRK1 P41145 3/20 0.34
OPRD1 P41143 2/20 0.34
OPRM1 P35372 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 2/20 0.33
LMNA P02545 2/20 0.33
MAPT P10636 2/20 0.33
RXFP1 Q9HBX9 1/20 0.33
LTB4R Q15722 1/20 0.32
LTB4R2 Q9NPC1 1/20 0.32
FFAR2 O15552 1/20 0.32
PKM P14618 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
ALOX12 P18054 1/20 0.32

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
SCHEMBL5046577 0.84 KIF11 (0.40) METKMT2A
SCHEMBL13580043 0.82 MET (0.58) METORAI1ALDH1A1LMNA
SCHEMBL5046797 0.81 MAOB (0.40) METORAI1OPRK1OPRD1OPRM1
SCHEMBL5046612 0.80 GRM5 (0.37) METORAI1OPRK1OPRD1KMT2A
SCHEMBL983930 0.80 MET (0.58) METORAI1OPRD1ALDH1A1LMNA
SCHEMBL1427173 0.80 MET (0.58) METORAI1MEN1KMT2AALDH1A1
SCHEMBL981593 0.77 MET (0.55) METORAI1OPRK1MEN1KMT2A
SCHEMBL5046607 0.77 MET (0.68) METORAI1MEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL5050480 0.76 MET (0.67) METORAI1MEN1KMT2AALDH1A1
SCHEMBL1427200 0.75 MET (0.53) METORAI1MEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080249095-A1 1-Acyldihydropyrazole Derivatives MERCK PATENT GESELLSCHAFT (DE) 2008-10-09 US claimed

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 4824/4885OPRK1 2971/4885

“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.