SCHEMBL5126820

SCHEMBL5126820

COc1ccc(CNC(=O)C2=NOC3(CCN(C(=S)NC4CCCC4)CC3)C2)cc1OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 1/20 0.44
KMT2A Q03164 6/20 0.43
MEN1 O00255 5/20 0.43
EPHX1 P07099 1/20 0.43
ALDH1A1 P00352 5/20 0.42
MAPT P10636 3/20 0.42
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
HTT P42858 2/20 0.42
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
LMNA P02545 3/20 0.41
ACHE P22303 1/20 0.40
BACE1 P56817 1/20 0.40
ALPL P05186 1/20 0.40
RAB9A P51151 2/20 0.40
PDGFRB P09619 1/20 0.40
PDGFRA P16234 1/20 0.40
NPC1 O15118 1/20 0.40
PDE4A P27815 1/20 0.39

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
SCHEMBL5126624 0.99 FKBP1A (0.45) FKBP1AKMT2AMEN1EPHX1ALDH1A1
SCHEMBL5127055 0.99 FKBP1A (0.45) FKBP1AKMT2AMEN1EPHX1ALDH1A1
SCHEMBL5120151 0.89 MEN1 (0.46) KMT2AMEN1ALDH1A1MAPTMAPK1
SCHEMBL1456969 0.87 FKBP1A (0.43) FKBP1AKMT2AMEN1EPHX1ALDH1A1
SCHEMBL1456946 0.87 FKBP1A (0.44) FKBP1AKMT2AMEN1EPHX1ALDH1A1
SCHEMBL1457211 0.87 FKBP1A (0.44) FKBP1AKMT2AMEN1EPHX1ALDH1A1
SCHEMBL5125610 0.86 ALDH1A1 (0.47) KMT2AMEN1ALDH1A1MAPTMAPK1
SCHEMBL5120152 0.85 HCRTR1 (0.42) KMT2AMEN1ALDH1A1MAPTMAPK1
SCHEMBL5119733 0.85 KMT2A (0.46) KMT2AMEN1ALDH1A1SMN1; SMN2GAA
SCHEMBL5120149 0.84 ALDH1A1 (0.42) KMT2AMEN1ALDH1A1MAPTMAPK1

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-20080214807-A1 Substituted Spiro Compounds and their Use for Producing Drugs GRUENENTHAL GMBH (DE) 2008-09-04 US claimed
US-20080214807-A1 Substituted Spiro Compounds and their Use for Producing Drugs GRUENENTHAL GMBH (DE) 2008-09-04 US 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-20080214807-A1 Substituted Spiro Compounds and their Use for Producing Drugs REN, PKD1, NR3C2 FKBP1A 900/4885KMT2A 4068/4885MEN1 941/4885

“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.