SCHEMBL4494985

SCHEMBL4494985

CCCN(CC1CC1)c1nc(SC)ncc1C(=O)OCC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ SYK P43405 2/20 0.47
▸ ALDH1A1 P00352 4/20 0.47
▸ TDP1 Q9NUW8 2/20 0.47
▸ POLB P06746 1/20 0.47
▸ MAPT P10636 5/20 0.45
▸ HPGD P15428 2/20 0.45
▸ LMNA P02545 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.44
▸ CRHR1 P34998 5/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ NFKB1 P19838 2/20 0.42
▸ NFKB2 Q00653 2/20 0.42
▸ RELA Q04206 2/20 0.42
▸ FOS P01100 1/20 0.42
▸ JUN P05412 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ NPC1 O15118 1/20 0.41

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
SCHEMBL4502643 0.78 CRHR1 (0.39) MEN1KMT2ALMNAKDM4ECRHR1
SCHEMBL4503059 0.77 CRHR1 (0.38) MEN1KMT2ALMNAKDM4ECRHR1
SCHEMBL4260559 0.76 MEN1 (0.56) MEN1KMT2ASYKALDH1A1TDP1
SCHEMBL3531655 0.74 MEN1 (0.50) MEN1KMT2ASYKALDH1A1TDP1
SCHEMBL20875506 0.74 SYK (0.52) MEN1KMT2ASYKALDH1A1TDP1
SCHEMBL11584085 0.74 MEN1 (0.54) MEN1KMT2ASYKALDH1A1TDP1
SCHEMBL3723384 0.74 ALDH1A1 (0.56) MEN1KMT2ASYKALDH1A1TDP1
SCHEMBL3291033 0.73 MEN1 (0.49) MEN1KMT2ASYKALDH1A1TDP1
SCHEMBL16120470 0.73 ALDH1A1 (0.67) MEN1KMT2ASYKALDH1A1TDP1
SCHEMBL9955978 0.73 MEN1 (0.51) MEN1KMT2ASYKALDH1A1TDP1

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-20090023729-A1 Trisubstituted amine compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-01-22 — — US disclosed
EP-1979341-A1 TRISUBSTITUTED AMINE COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2008-10-15 — — EP disclosed
WO-2007088999-A1 TRISUBSTITUTED AMINE COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-08-09 — — 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-20090023729-A1 Trisubstituted amine compound CETP, MTTP, APOB MEN1 2338/4885KMT2A 636/4885SYK 2413/4885

“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.

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