SCHEMBL3396490

SCHEMBL3396490

CN(C(O)=S)C1CN(c2ccc(N3CCN(C(=O)c4cc5ccccc5o4)CC3)c(F)c2)C(=O)O1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
NPSR1 Q6W5P4 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
GLA P06280 1/20 0.47
GAA P10253 1/20 0.47
MAOB P27338 4/20 0.46
MAOA P21397 3/20 0.46
POLB P06746 2/20 0.44
USP2 O75604 2/20 0.44
HRH4 Q9H3N8 1/20 0.43
HPGD P15428 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
LMNA P02545 1/20 0.42
PTGS1 P23219 1/20 0.42
CALML3 P27482 1/20 0.42
SDHA P31040 1/20 0.42
TSHR P16473 2/20 0.42

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
SCHEMBL3390770 0.92 NPSR1 (0.45) ALDH1A1NPSR1MEN1KMT2AGLA
SCHEMBL3394628 0.90 HRH4 (0.46) ALDH1A1NPSR1MEN1KMT2AGLA
SCHEMBL3394854 0.84 MAOB (0.47) ALDH1A1MEN1KMT2AMAOBMAOA
SCHEMBL3395820 0.84 MAOB (0.45) MEN1KMT2AMAOBMAOAPOLB
SCHEMBL3396494 0.84 MAOB (0.54) ALDH1A1NPSR1MEN1KMT2AGLA
SCHEMBL3390768 0.82 MAOB (0.55) MAOBMAOALMNAPTGS1CALML3
SCHEMBL3394870 0.82 MAOB (0.45) ALDH1A1NPSR1MEN1KMT2AMAOB
SCHEMBL3396927 0.82 HRH4 (0.44) NPSR1MAOBMAOAHRH4HPGD
SCHEMBL3398497 0.82 MAOB (0.47) MEN1KMT2AGAAMAOBMAOA
SCHEMBL3392358 0.82 MAOB (0.48) ALDH1A1MEN1KMT2AMAOBMAOA

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 3 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 disclosed
EP-2170874-A2 NOVEL COMPOUNDS AND THEIR USE Orchid Research Laboratories Limited (IN) 2010-04-07 EP disclosed
WO-2009001192-A2 NOVEL COMPOUNDS AND THEIR USE ORCHID RESEARCH LABORATORIES LIMITED (IN) 2008-12-31 WO 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 ALDH1A1 3866/4885NPSR1 857/4885MEN1 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.