SCHEMBL3397399

SCHEMBL3397399

COC(=S)N(C)C1CN(c2ccc(N3CCN(C(=O)c4ccncc4)CC3)c(F)c2)C(=O)O1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOB P27338 9/20 0.47
MAOA P21397 6/20 0.46
CALML3 P27482 2/20 0.44
LMNA P02545 1/20 0.44
PTGS1 P23219 1/20 0.44
SDHA P31040 1/20 0.44
F10 P00742 4/20 0.41
ALDH1A1 P00352 2/20 0.41
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
HTT P42858 1/20 0.39
HPGD P15428 1/20 0.38

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
SCHEMBL3394936 0.92 MAOB (0.44) MAOBMAOACALML3LMNAPTGS1
SCHEMBL3397225 0.91 MAOB (0.45) MAOBMAOACALML3LMNAPTGS1
SCHEMBL3397573 0.90 MAOB (0.47) MAOBMAOACALML3LMNAPTGS1
SCHEMBL3394906 0.89 MAOB (0.45) MAOBMAOACALML3LMNAPTGS1
SCHEMBL3394517 0.89 MAOB (0.43) MAOBMAOACALML3LMNAPTGS1
SCHEMBL3397394 0.89 MAOB (0.45) MAOBMAOACALML3LMNAPTGS1
SCHEMBL3392412 0.89 MAOB (0.43) MAOBMAOACALML3LMNAPTGS1
SCHEMBL3394844 0.88 MAOB (0.44) MAOBMAOACALML3LMNAPTGS1
SCHEMBL3394803 0.88 MAOB (0.44) MAOBMAOACALML3LMNAPTGS1
SCHEMBL3390781 0.88 MAOB (0.44) MAOBMAOACALML3LMNAPTGS1

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 2 patents. 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
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 2174/4885CALML3 4506/4885

“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.