SCHEMBL5767299

SCHEMBL5767299

O=C(NCc1ccc([N+](=O)[O-])cc1)c1ccc(O)cc1

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.71
MMP13 P45452 1/20 0.62
APOBEC3A P31941 1/20 0.61
APOBEC3G Q9HC16 1/20 0.61
SMN1; SMN2 Q16637 3/20 0.60
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
RAB9A P51151 3/20 0.57
NPC1 O15118 2/20 0.57
THRB P10828 1/20 0.57
FFAR1 O14842 1/20 0.56
MAOB P27338 1/20 0.56
TAAR1 Q96RJ0 1/20 0.56
MAPT P10636 3/20 0.55
KDM4E B2RXH2 1/20 0.53
USP2 O75604 1/20 0.53
ALDH1A1 P00352 1/20 0.53
LMNA P02545 1/20 0.53

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
SCHEMBL14238254 1.00 CA2 (0.71) CA2MMP13APOBEC3AAPOBEC3GSMN1; SMN2
SCHEMBL16369739 0.88 SMN1; SMN2 (0.71) CA2MMP13APOBEC3AAPOBEC3GSMN1; SMN2
SCHEMBL25872908 0.87 ESRRG (0.61) CA2APOBEC3AAPOBEC3GSMN1; SMN2MEN1
SCHEMBL18610093 0.87 CA2 (0.69) CA2MMP13APOBEC3AAPOBEC3GSMN1; SMN2
SCHEMBL6358626 0.87 SMN1; SMN2 (0.75) CA2MMP13APOBEC3AAPOBEC3GSMN1; SMN2
SCHEMBL6961817 0.86 CA2 (0.68) CA2MMP13APOBEC3AAPOBEC3GSMN1; SMN2
SCHEMBL11615300 0.86 RAB9A (0.74) CA2MMP13APOBEC3AAPOBEC3GSMN1; SMN2
SCHEMBL9416580 0.85 HDAC6 (0.64) CA2SMN1; SMN2RAB9ANPC1MAPT
SCHEMBL27286669 0.84 CA2 (0.66) CA2MMP13APOBEC3AAPOBEC3GSMN1; SMN2
SCHEMBL4255834 0.84 MMP13 (0.85) CA2MMP13APOBEC3AAPOBEC3GSMN1; SMN2

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 CA2 2007/4885MMP13 4575/4885APOBEC3A 4632/4885

“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.