SCHEMBL6320529

SCHEMBL6320529

CCOC(=O)C(C#N)=C1CCN(C(=O)c2ccccc2)CC1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.67
KMT2A Q03164 1/20 0.67
BLM P54132 1/20 0.47
ALDH1A1 P00352 5/20 0.45
RAB9A P51151 2/20 0.45
HSD17B10 Q99714 2/20 0.45
MAPK1 P28482 3/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MAPT P10636 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
POLB P06746 1/20 0.44
SIGMAR1 Q99720 1/20 0.43
PKM P14618 2/20 0.43
KDM4E B2RXH2 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
LMNA P02545 2/20 0.43

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
SCHEMBL2330634 0.83 MEN1 (0.63) MEN1KMT2AALDH1A1RAB9AHSD17B10
SCHEMBL10291497 0.82 MEN1 (0.70) MEN1KMT2AALDH1A1RAB9AHSD17B10
SCHEMBL8545419 0.82 BLM (0.51) MEN1KMT2ABLMALDH1A1L3MBTL1
SCHEMBL989455 0.81 MEN1 (1.00) MEN1KMT2AALDH1A1RAB9AHSD17B10
SCHEMBL20995023 0.78 MEN1 (0.57) MEN1KMT2AALDH1A1RAB9AHSD17B10
SCHEMBL990247 0.77 KMT2A (0.62) MEN1KMT2AALDH1A1RAB9AHSD17B10
SCHEMBL14046061 0.77 MEN1 (0.91) MEN1KMT2AALDH1A1RAB9AHSD17B10
SCHEMBL344971 0.75 MEN1 (0.54) MEN1KMT2AALDH1A1MAPK1L3MBTL1
SCHEMBL16554034 0.74 KMT2A (0.58) MEN1KMT2AALDH1A1RAB9AHSD17B10
SCHEMBL625332 0.74 MEN1 (0.57) MEN1KMT2AALDH1A1RAB9AHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1080095-B1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPASES) NOVO NORDISK AS (DK) 2005-11-02 EP disclosed
US-6951878-B2 Benzo[b]thiophenyl or tetrahydro-benzo[b]thiophenyl modulators of protein tyrosine phosphatases (PTPases) NOVO NORDISK A/S (DK) 2005-10-04 US disclosed
US-20030069267-A1 Modulators of protein tyrosine phosphatases (PTPases) MOLLER NIELS PETER HUNDAHL (DK) 2003-04-10 US disclosed
US-6410586-B1 ANTICOAGULANTS; INSULIN RESISTANCE; ANTIALLERGENS NOVO NORDISK A/S (DK) 2002-06-25 US disclosed
US-6262044-B1 CONTAINING AN AMIDE-SUBSTITUTED TETRAHYDROTHIENOPYRIDINE RING NOVO NORDISK A/S (DK) 2001-07-17 US disclosed
EP-1080095-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPASES) NOVO NORDISK A/S (DK) 2001-03-07 EP disclosed
EP-1080068-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES Novo Nordisk A/S (DK) 2001-03-07 EP disclosed
WO-1999046237-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES NOVO NORDISK A/S (DK) 1999-09-16 WO disclosed
WO-1999046267-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPASES) NOVO NORDISK A/S (DK) 1999-09-16 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-20030069267-A1 Modulators of protein tyrosine phosphatases (PTPases) PTPRCAP, PTPRS, PTPRA MEN1 3307/4885KMT2A 3329/4885BLM 4297/4885

“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.