SCHEMBL7124249

SCHEMBL7124249

Nc1onc2c1CCOc1ccccc1-2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
NPY5R Q15761 1/20 0.43
LMNA P02545 3/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
GAA P10253 1/20 0.41
SLC9A1 P19634 1/20 0.37
PIK3CA P42336 3/20 0.37
NOTUM Q6P988 1/20 0.37
ITGB2 P05107 1/20 0.36
ICAM1 P05362 1/20 0.36
ITGAL P20701 1/20 0.36
THRB P10828 1/20 0.36
ALPL P05186 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PIK3CD O00329 1/20 0.34
PIK3CB P42338 1/20 0.34
PIK3CG P48736 1/20 0.34
PKM P14618 1/20 0.33

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
SCHEMBL4879144 0.73 NPY5R (0.43) MEN1KMT2ANPY5RLMNAKDM4E
SCHEMBL4874208 0.73 NPY5R (0.43) MEN1KMT2ANPY5RLMNAKDM4E
SCHEMBL7119156 0.69 MEN1 (0.42) MEN1KMT2ANPY5RLMNAKDM4E
SCHEMBL7128729 0.69 MEN1 (0.42) MEN1KMT2ANPY5RLMNAKDM4E
SCHEMBL7126542 0.68 NPY5R (0.43) MEN1KMT2ANPY5RLMNAKDM4E
SCHEMBL14353936 0.67 NOS2 (0.48) MEN1KMT2ANPY5RLMNAKDM4E
SCHEMBL20831516 0.65 ITGB2 (0.72) MEN1KMT2ANPY5RLMNAKDM4E
SCHEMBL6365460 0.65 MEN1 (1.00) MEN1KMT2ANPY5RLMNAKDM4E
SCHEMBL1119025 0.65 NPY5R (0.47) MEN1KMT2ANPY5RLMNAKDM4E
Chromanone SCHEMBL29384996 0.64 MAOB (0.56) MEN1KMT2ALMNAKDM4EALDH1A1

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-20030176454-A1 N-coating heterocyclic compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-09-18 US disclosed
WO-2001087845-A2 N-CONTAINING HETEROCYCLIC COMPOUNDS AND THEIR USE AS 5-HT ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-11-22 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-20030176454-A1 N-coating heterocyclic compounds H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, GNE, NIT2 MEN1 244/4885KMT2A 263/4885NPY5R 1066/4885

“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.