SCHEMBL3392269

SCHEMBL3392269

COC(=S)N(C)C1CN(c2ccc(N3CCN(C(=O)c4cc(OC)c(OC)c(OC)c4)CC3)c(F)c2)C(=O)O1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.45
HTT P42858 3/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MAOB P27338 6/20 0.45
MAOA P21397 3/20 0.44
NPSR1 Q6W5P4 2/20 0.43
PTGS1 P23219 1/20 0.42
CALML3 P27482 1/20 0.42
SDHA P31040 1/20 0.42
NPC1 O15118 1/20 0.41
CDK5 Q00535 1/20 0.41
CDK5R1 Q15078 1/20 0.41
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 1/20 0.41
PKM P14618 1/20 0.40
CYP1A2 P05177 1/20 0.40
MAPT P10636 2/20 0.40
TP53 P04637 1/20 0.40
F10 P00742 1/20 0.40
HPGD P15428 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
SCHEMBL3397399 0.88 MAOB (0.47) LMNAHTTSMN1; SMN2MAOBMAOA
SCHEMBL3397573 0.86 MAOB (0.47) LMNAHTTMAOBMAOANPSR1
SCHEMBL3397225 0.85 MAOB (0.45) LMNAMAOBMAOAPTGS1CALML3
SCHEMBL3397394 0.85 MAOB (0.45) LMNAMAOBMAOAPTGS1CALML3
SCHEMBL3394844 0.85 MAOB (0.44) LMNAMAOBMAOAPTGS1CALML3
SCHEMBL3390781 0.85 MAOB (0.44) LMNAMAOBMAOAPTGS1CALML3
SCHEMBL3395638 0.85 MAOB (0.44) LMNAMAOBMAOAPTGS1CALML3
SCHEMBL3394936 0.85 MAOB (0.44) LMNAHTTSMN1; SMN2MAOBMAOA
SCHEMBL3394906 0.84 MAOB (0.45) LMNAHTTSMN1; SMN2MAOBMAOA
SCHEMBL3394812 0.84 MAOB (0.51) LMNAMAOBMAOAPTGS1CALML3

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 LMNA 2167/4885HTT 162/4885SMN1; SMN2 2440/4885

“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.