SCHEMBL3396451

SCHEMBL3396451

CSC(=O)N(C)C1CN(c2ccc(N3CCN(C(=O)c4c(C)noc4C)CC3)c(F)c2)C(=O)O1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.45
MAOA P21397 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
SMN1; SMN2 Q16637 5/20 0.41
TSHR P16473 3/20 0.41
NPY2R P49146 3/20 0.40
LMNA P02545 2/20 0.40
PTGS1 P23219 1/20 0.40
CALML3 P27482 1/20 0.40
SDHA P31040 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.39
F10 P00742 1/20 0.38
HTT P42858 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 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
SCHEMBL3395834 0.88 MAOB (0.46) MAOBMAOAKMT2ATSHRLMNA
SCHEMBL3397716 0.86 MAOB (0.45) MAOBMAOALMNAPTGS1CALML3
SCHEMBL3394642 0.84 MAOB (0.49) MAOBMAOAMEN1KMT2ATSHR
SCHEMBL3392749 0.83 MAOB (0.47) MAOBMAOAMEN1KMT2ASMN1; SMN2
SCHEMBL3396443 0.82 MAOB (0.55) MAOBMAOALMNAPTGS1CALML3
SCHEMBL3394696 0.82 MAOB (0.45) MAOBMAOALMNAPTGS1CALML3
SCHEMBL3395668 0.82 MAOB (0.50) MAOBMAOALMNAPTGS1CALML3
SCHEMBL3419157 0.81 MAOB (0.45) MAOBMAOALMNAPTGS1CALML3
SCHEMBL3397490 0.81 MAOB (0.55) MAOBMAOAMEN1KMT2ASMN1; SMN2
SCHEMBL3394838 0.81 MAOB (0.51) 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 2174/4885MEN1 2861/4885

“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.