SCHEMBL3398181

SCHEMBL3398181

CN(C(O)=S)C1CN(c2ccc(N3CCN(C(=O)c4cc5cc(F)ccc5[nH]4)CC3)c(F)c2)C(=O)O1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.47
MAOB P27338 4/20 0.45
KMT2A Q03164 5/20 0.44
MEN1 O00255 4/20 0.44
MAOA P21397 3/20 0.43
LMNA P02545 1/20 0.41
PTGS1 P23219 1/20 0.41
CALML3 P27482 1/20 0.41
SDHA P31040 1/20 0.41
CFD P00746 1/20 0.41
TPSAB1 Q15661 1/20 0.39
TPSD1 Q9BZJ3 1/20 0.39
TPSG1 Q9NRR2 1/20 0.39

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
SCHEMBL3395820 0.92 MAOB (0.45) HRH4MAOBKMT2AMEN1MAOA
SCHEMBL3394125 0.84 MEN1 (0.46) HRH4MAOBKMT2AMEN1MAOA
SCHEMBL3398183 0.84 MAOB (0.54) MAOBKMT2AMEN1MAOALMNA
SCHEMBL3392358 0.81 MAOB (0.48) MAOBKMT2AMEN1MAOALMNA
SCHEMBL3392294 0.81 MAOB (0.46) MAOBKMT2AMEN1MAOALMNA
SCHEMBL3394919 0.81 MAOB (0.56) MAOBMAOALMNAPTGS1CALML3
SCHEMBL3395068 0.81 MAOB (0.51) MAOBMAOALMNAPTGS1CALML3
SCHEMBL3397361 0.81 MAOB (0.53) MAOBMAOALMNAPTGS1CALML3
SCHEMBL3394854 0.80 MAOB (0.47) MAOBKMT2AMEN1MAOALMNA
SCHEMBL3398179 0.80 MAOB (0.55) HRH4MAOBMAOALMNAPTGS1

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-20100234390-A1 NOVEL COMPOUND AND THEIR USE ORCHID RESEARCH LABORATORIES LIMITED (IN) 2010-09-16 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-20100234390-A1 NOVEL COMPOUND AND THEIR USE HTRA1, PRSS1, PRNP HRH4 131/4885MAOB 2054/4885KMT2A 4400/4885

“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.