SCHEMBL1812898

SCHEMBL1812898

COc1ccc(CC(=O)SC)nn1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NNMT P40261 3/20 0.47
MEN1 O00255 5/20 0.36
KMT2A Q03164 5/20 0.36
KDM4E B2RXH2 2/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
POLB P06746 4/20 0.34
TDP1 Q9NUW8 1/20 0.34
PABPC1 P11940 4/20 0.33
LMNA P02545 4/20 0.33
NPSR1 Q6W5P4 1/20 0.33
NPC1 O15118 3/20 0.33
PKM P14618 1/20 0.33
RAB9A P51151 2/20 0.32
ALDH1A1 P00352 1/20 0.32
HTT P42858 1/20 0.32
RECQL P46063 1/20 0.32

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
SCHEMBL1809868 0.77 ALDH1A1 (0.41) MEN1KMT2ASMN1; SMN2POLBLMNA
SCHEMBL6134262 0.74 NNMT (0.42) NNMTMEN1KMT2ASMN1; SMN2POLB
SCHEMBL6134151 0.73 NNMT (0.45) NNMTMEN1KMT2AKDM4EMAPT
SCHEMBL6133524 0.73 NNMT (0.41) NNMTMEN1KMT2AKDM4EMAPT
SCHEMBL6134121 0.72 NNMT (0.44) NNMTKMT2AKDM4ESMN1; SMN2TDP1
SCHEMBL5799347 0.72 NPC1 (0.48) NNMTMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL6133543 0.72 NPC1 (0.54) KMT2AMAPTSMN1; SMN2TDP1LMNA
SCHEMBL1810100 0.72 LMNA (0.49) KMT2AKDM4ESMN1; SMN2TDP1LMNA
SCHEMBL1812899 0.71 NNMT (0.42) NNMTMEN1KMT2AKDM4EMAPT
SCHEMBL15633541 0.71 NNMT (0.44) NNMTMEN1KMT2AKDM4EMAPT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1801108-B9 MORPHOLINE COMPOUNDS FOR THE TREATMENT OF INFLAMMATIONS MITSUBISHI TANABE PHARMA CORP (JP) 2013-11-20 EP disclosed
EP-1801108-B1 MORPHOLINE COMPOUNDS FOR THE TREATMENT OF INFLAMMATIONS MITSUBISHI TANABE PHARMA CORP (JP) 2012-11-14 EP disclosed
US-7935700-B2 Morpholine compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-05-03 US disclosed
US-20070265257-A1 Morpholine Compound MITSUBISHI PHARMA CORPORATION (JP) 2007-11-15 US disclosed
EP-1801108-A1 MORPHOLINE COMPOUND Mitsubishi Pharma Corporation (JP) 2007-06-27 EP 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-20070265257-A1 Morpholine Compound CCR3, CCR1, CCR4 NNMT 1386/4885MEN1 965/4885KMT2A 1652/4885

“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.