SCHEMBL3393360

SCHEMBL3393360

CN(C(O)=S)C1CN(c2ccc(N3CCN(C(=O)c4cncc(Br)c4)CC3)c(F)c2)C(=O)O1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.47
MAOA P21397 4/20 0.44
ALDH1A1 P00352 6/20 0.42
MAPT P10636 6/20 0.42
LMNA P02545 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HPGD P15428 3/20 0.41
KDM4E B2RXH2 2/20 0.41
TSHR P16473 2/20 0.41
HSD17B10 Q99714 1/20 0.41
PTGS1 P23219 1/20 0.40
CALML3 P27482 1/20 0.40
SDHA P31040 1/20 0.40
GAA P10253 2/20 0.40
HTT P42858 1/20 0.40
F10 P00742 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
KCNH2 Q12809 1/20 0.37

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
SCHEMBL3392294 0.92 MAOB (0.46) MAOBMAOAMAPTLMNAPTGS1
SCHEMBL3394906 0.92 MAOB (0.45) MAOBMAOAALDH1A1MAPTLMNA
SCHEMBL3392669 0.88 MAOB (0.46) MAOBMAOAALDH1A1MAPTLMNA
SCHEMBL3394985 0.87 MAOB (0.46) MAOBMAOAALDH1A1MAPTLMNA
SCHEMBL3396925 0.86 MAOB (0.45) MAOBMAOAMAPTLMNAPTGS1
SCHEMBL3392358 0.85 MAOB (0.48) MAOBMAOAALDH1A1MAPTLMNA
SCHEMBL3397225 0.84 MAOB (0.45) MAOBMAOAMAPTLMNAPTGS1
SCHEMBL3393363 0.83 MAOB (0.53) MAOBMAOALMNAPTGS1CALML3
SCHEMBL3397361 0.83 MAOB (0.53) MAOBMAOAMAPTLMNAPTGS1
SCHEMBL3392258 0.83 MAOB (0.46) MAOBMAOALMNAPTGS1CALML3

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 MAOB 2054/4885MAOA 2174/4885ALDH1A1 3866/4885

“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.