SCHEMBL3397368

SCHEMBL3397368

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

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAOA P21397 5/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
LMNA P02545 3/20 0.40
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
PTGS1 P23219 1/20 0.40
CALML3 P27482 1/20 0.40
SDHA P31040 1/20 0.40
F10 P00742 2/20 0.37
TOP2B Q02880 1/20 0.37
CPS1 P31327 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL3397511 0.92 MAOB (0.45) MAOBMEN1KMT2AL3MBTL1MAOA
SCHEMBL3397394 0.86 MAOB (0.45) MAOBMAOALMNAALDH1A1PTGS1
SCHEMBL3397367 0.85 MAOB (0.53) MAOBMAOALMNAPTGS1CALML3
SCHEMBL3397399 0.85 MAOB (0.47) MAOBMAOASMN1; SMN2LMNAALDH1A1
SCHEMBL3395638 0.85 MAOB (0.44) MAOBMAOALMNAALDH1A1PTGS1
SCHEMBL3394844 0.85 MAOB (0.44) MAOBMAOALMNAALDH1A1PTGS1
SCHEMBL3390781 0.85 MAOB (0.44) MAOBMAOALMNAPTGS1CALML3
SCHEMBL3394659 0.85 LMNA (0.46) MAOBMAOASMN1; SMN2LMNAMAPT
SCHEMBL3397702 0.83 MAOB (0.44) MAOBMAOALMNAPTGS1CALML3
SCHEMBL3397573 0.83 MAOB (0.47) MAOBMEN1KMT2AMAOALMNA

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 MAOB 2054/4885MEN1 2861/4885KMT2A 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.