SCHEMBL5796491

SCHEMBL5796491

COC(=O)c1ccc2onc(OCc3ccccc3)c2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.55
HPGD P15428 1/20 0.55
HIF1A Q16665 1/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PPIA P62937 1/20 0.43
PKM P14618 1/20 0.43
GABRA5 P31644 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
TP53 P04637 1/20 0.42
POLB P06746 1/20 0.42
MRGPRX4 Q96LA9 2/20 0.42
SMPD1 P17405 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
LNPEP Q9UIQ6 2/20 0.41
KDM5B Q9UGL1 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
SCHEMBL5618133 0.80 HIF1A (0.42) LMNAHPGDHIF1AMEN1KMT2A
SCHEMBL5765923 0.80 LMNA (0.51) LMNAHPGDMEN1KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL6994411 0.79 HIF1A (0.41) LMNAHPGDHIF1AMEN1KMT2A
SCHEMBL5823771 0.79 SMN1; SMN2 (0.48) LMNAMEN1KMT2ASMN1; SMN2HDAC1
SCHEMBL5809583 0.78 HTR2A (0.41) LMNAHPGDSMN1; SMN2CA1CA2
SCHEMBL25353360 0.77 NPC1 (0.56) HIF1AMEN1KMT2AGABRA5CA1
SCHEMBL30535719 0.77 NPC1 (0.56) HIF1AMEN1KMT2AGABRA5CA1
SCHEMBL6784895 0.76 MAOB (0.45) LMNAHPGDCA1CA2ALDH1A1
SCHEMBL6778897 0.74 CA12 (0.53) LMNAHPGDHIF1AMEN1KMT2A
SCHEMBL30040356 0.74 CA12 (0.49) LMNAHPGDHIF1AMEN1KMT2A

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
EP-1615636-A1 BICYCLIC COMPOUNDS AS NR2B RECEPTOR ANTAGONISTS PFIZER INC. (US) 2006-01-18 EP disclosed
WO-2004089366-A1 BICYCLIC COMPOUNDS AS NR2B RECEPTOR ANTAGONISTS PFIZER JAPAN, INC. (JP) 2004-10-21 WO disclosed
US-20040204409-A1 Bicyclic compounds as NR2B receptor antagonists ANDO KAZUO (JP) 2004-10-14 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-20040204409-A1 Bicyclic compounds as NR2B receptor antagonists GRIN1, GRIN2B, GRIN2A LMNA 3923/4885HPGD 1765/4885HIF1A 602/4885

“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.