SCHEMBL3394906

SCHEMBL3394906

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

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.45
MAOA P21397 5/20 0.42
ALDH1A1 P00352 6/20 0.41
HPGD P15428 4/20 0.41
KDM4E B2RXH2 2/20 0.41
HSD17B10 Q99714 1/20 0.41
MAPT P10636 4/20 0.41
LMNA P02545 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PTGS1 P23219 1/20 0.41
CALML3 P27482 1/20 0.41
SDHA P31040 1/20 0.41
TSHR P16473 1/20 0.39
HTT P42858 2/20 0.38
F10 P00742 2/20 0.38
GAA P10253 1/20 0.38
TOP2B Q02880 1/20 0.37
NPSR1 Q6W5P4 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
SCHEMBL3397225 0.93 MAOB (0.45) MAOBMAOAMAPTLMNAPTGS1
SCHEMBL3393360 0.92 MAOB (0.47) MAOBMAOAALDH1A1HPGDKDM4E
SCHEMBL3394936 0.90 MAOB (0.44) MAOBMAOAALDH1A1MAPTLMNA
SCHEMBL3397399 0.89 MAOB (0.47) MAOBMAOAALDH1A1HPGDLMNA
SCHEMBL3397394 0.88 MAOB (0.45) MAOBMAOAALDH1A1HPGDLMNA
SCHEMBL3394844 0.87 MAOB (0.44) MAOBMAOAALDH1A1HPGDLMNA
SCHEMBL3390781 0.87 MAOB (0.44) MAOBMAOALMNAPTGS1CALML3
SCHEMBL3395638 0.87 MAOB (0.44) MAOBMAOAALDH1A1HPGDLMNA
SCHEMBL3394912 0.85 MAOB (0.45) MAOBMAOALMNAPTGS1CALML3
SCHEMBL3395116 0.85 MAOB (0.44) MAOBMAOAALDH1A1KDM4ELMNA

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 2054/4885MAOA 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.