SCHEMBL3396927

SCHEMBL3396927

COC(=S)N(C)C1CN(c2ccc(N3CCN(C(=O)c4cc5cc(Cl)ccc5o4)CC3)c(F)c2)C(=O)O1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.44
MAOB P27338 5/20 0.43
MAOA P21397 3/20 0.43
F10 P00742 8/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
LMNA P02545 1/20 0.41
PTGS1 P23219 1/20 0.41
CALML3 P27482 1/20 0.41
SDHA P31040 1/20 0.41
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HSD17B10 Q99714 1/20 0.39
FPR1 P21462 1/20 0.39
FPR2 P25090 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
SCHEMBL3394628 0.92 HRH4 (0.46) HRH4MAOBMAOAF10NPC1
SCHEMBL3390770 0.91 NPSR1 (0.45) HRH4MAOBMAOANPC1RAB9A
SCHEMBL3396921 0.86 MAOB (0.53) MAOBMAOAF10LMNAPTGS1
SCHEMBL3393630 0.83 MAOB (0.44) MAOBMAOAF10LMNAPTGS1
SCHEMBL3394631 0.83 F10 (0.54) MAOBMAOAF10LMNAPTGS1
SCHEMBL3396490 0.82 ALDH1A1 (0.47) HRH4MAOBMAOANPC1RAB9A
SCHEMBL3393625 0.81 MAOB (0.44) MAOBMAOAF10RAB9ALMNA
SCHEMBL3397399 0.81 MAOB (0.47) MAOBMAOAF10LMNAPTGS1
SCHEMBL3392801 0.81 MAOB (0.50) MAOBMAOAF10LMNAPTGS1
Hydrochloric Acid SCHEMBL3393706 0.81 MAOB (0.49) MAOBMAOAF10LMNAPTGS1

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 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-20100234390-A1 NOVEL COMPOUND AND THEIR USE HTRA1, PRSS1, PRNP HRH4 131/4885MAOB 2054/4885MAOA 2174/4885

“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.