SCHEMBL3397511

SCHEMBL3397511

CN(C(O)=S)C1CN(c2ccc(N3CCN(C(=O)c4ccc5[nH]cnc5c4)CC3)c(F)c2)C(=O)O1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.45
MAOA P21397 5/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
MAPT P10636 3/20 0.42
POLB P06746 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
LMNA P02545 4/20 0.40
PTGS1 P23219 1/20 0.40
CALML3 P27482 1/20 0.40
SDHA P31040 1/20 0.40
F10 P00742 1/20 0.36
GAA P10253 1/20 0.36
THRB P10828 1/20 0.36
TSHR P16473 1/20 0.36
RECQL P46063 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL3397368 0.92 MAOB (0.43) MAOBMAOASMN1; SMN2MAPTPOLB
SCHEMBL3392669 0.85 MAOB (0.46) MAOBMAOAMAPTALDH1A1MEN1
SCHEMBL3394985 0.84 MAOB (0.46) MAOBMAOAMAPTALDH1A1MEN1
SCHEMBL3397517 0.84 MAOB (0.53) MAOBMAOALMNAPTGS1CALML3
SCHEMBL3397396 0.84 LMNA (0.48) MAOBMAOASMN1; SMN2MAPTPOLB
SCHEMBL3392358 0.84 MAOB (0.48) MAOBMAOAMAPTALDH1A1MEN1
SCHEMBL3396925 0.84 MAOB (0.45) MAOBMAOAMAPTMEN1KMT2A
SCHEMBL3397367 0.83 MAOB (0.53) MAOBMAOALMNAPTGS1CALML3
SCHEMBL3397347 0.83 MAOB (0.46) MAOBMAOALMNAPTGS1CALML3
SCHEMBL3392294 0.82 MAOB (0.46) MAOBMAOAMAPTMEN1KMT2A

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 2174/4885SMN1; 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.