SCHEMBL3396973

SCHEMBL3396973

NC(=S)OCC1CN(c2ccc(N3CCN(C(=O)C4(O)CC4)CC3)c(F)c2)C(=O)O1

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOA P21397 5/20 0.60
MAOB P27338 10/20 0.51
PTGS1 P23219 2/20 0.47
SDHA P31040 2/20 0.47
LMNA P02545 1/20 0.47
CALML3 P27482 1/20 0.47
F10 P00742 8/20 0.46

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
SCHEMBL3396971 0.84 MAOB (0.52) MAOAMAOBPTGS1SDHALMNA
SCHEMBL3396978 0.84 MAOB (0.59) MAOAMAOBPTGS1SDHALMNA
SCHEMBL6040570 0.82 MAOB (0.59) MAOAMAOBPTGS1SDHALMNA
SCHEMBL3392614 0.80 MAOA (0.59) MAOAMAOBPTGS1SDHALMNA
SCHEMBL3398460 0.80 MAOA (0.57) MAOAMAOBPTGS1SDHALMNA
SCHEMBL7838901 0.77 MAOB (0.57) MAOAMAOBPTGS1SDHALMNA
SCHEMBL3392613 0.76 MAOA (0.54) MAOAMAOBPTGS1SDHALMNA
SCHEMBL5810297 0.75 MAOB (0.58) MAOAMAOBPTGS1SDHALMNA
SCHEMBL7847100 0.74 MAOB (0.62) MAOAMAOBPTGS1SDHALMNA
SCHEMBL7847103 0.74 MAOB (0.62) MAOAMAOBPTGS1SDHALMNA

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 MAOA 2174/4885MAOB 2054/4885PTGS1 1779/4885

“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.