SCHEMBL5046797

SCHEMBL5046797

CN(C)CC[CH]c1cccc(CC(=O)N2CCC(c3ccc(F)cc3)=N2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.40
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PGR P06401 2/20 0.36
ORAI1 Q96D31 2/20 0.35
MET P08581 3/20 0.35
HCRTR1 O43613 1/20 0.34
CACNA1H O95180 1/20 0.33
CACNA1C Q13936 1/20 0.33
LTB4R Q15722 1/20 0.33
LTB4R2 Q9NPC1 1/20 0.33
LMNA P02545 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
POLB P06746 1/20 0.33
KCNK3 O14649 1/20 0.33
USP2 O75604 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
SCHEMBL5046612 0.92 GRM5 (0.37) MAOBALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL5046577 0.88 KIF11 (0.40) MET
SCHEMBL5050458 0.83 MET (0.46) MAOBMETTSHR
SCHEMBL5050486 0.81 MET (0.51) ALDH1A1ORAI1METLTB4RLTB4R2
SCHEMBL980169 0.80 MAOB (0.45) MAOBALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL981591 0.78 ALDH1A1 (0.57) MAOBALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL12922936 0.78 MET (0.61) MET
SCHEMBL12922889 0.78 MAOB (0.50) MAOBALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL980870 0.77 MAOB (0.53) MAOBALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL1027180 0.75 MAOB (0.48) MAOBALDH1A1HPGDRAB9ASMN1; 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 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 MAOB 1138/4885ALDH1A1 399/4885HPGD 2204/4885

“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.