SCHEMBL3392258

SCHEMBL3392258

Cc1cnc(C(=O)N2CCN(c3ccc(N4CC(N(C)C(O)=S)OC4=O)cc3F)CC2)cn1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAOB P27338 10/20 0.46
MAOA P21397 7/20 0.45
POLB P06746 1/20 0.42
LMNA P02545 1/20 0.41
PTGS1 P23219 1/20 0.41
CALML3 P27482 1/20 0.41
SDHA P31040 1/20 0.41
F10 P00742 5/20 0.39
MYC P01106 1/20 0.37

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
SCHEMBL3417629 0.92 MAOB (0.45) MAOBMAOAPOLBLMNAPTGS1
SCHEMBL3394985 0.90 MAOB (0.46) MAOBMAOALMNAPTGS1CALML3
SCHEMBL3394857 0.88 MAOB (0.47) MAOBMAOAPOLBLMNAPTGS1
SCHEMBL3397347 0.87 MAOB (0.46) MAOBMAOALMNAPTGS1CALML3
SCHEMBL3392669 0.86 MAOB (0.46) MAOBMAOALMNAPTGS1CALML3
SCHEMBL3396925 0.84 MAOB (0.45) MAOBMAOALMNAPTGS1CALML3
SCHEMBL3397361 0.84 MAOB (0.53) MAOBMAOALMNAPTGS1CALML3
SCHEMBL3393969 0.84 MAOB (0.46) MAOBMAOALMNAPTGS1CALML3
SCHEMBL3392294 0.84 MAOB (0.46) MAOBMAOALMNAPTGS1CALML3
SCHEMBL3394854 0.84 MAOB (0.47) MAOBMAOALMNAPTGS1CALML3

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 2174/4885POLB 1480/4885

“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.