SCHEMBL5535555

SCHEMBL5535555

O=C(O)c1cccc(N2C(=O)c3cccc4cccc2c34)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 9/20 0.60
MEN1 O00255 7/20 0.60
KDM4E B2RXH2 3/20 0.60
ALDH1A1 P00352 2/20 0.60
L3MBTL1 Q9Y468 3/20 0.59
RXFP1 Q9HBX9 2/20 0.59
CA12 O43570 1/20 0.59
CA9 Q16790 1/20 0.59
PDE6D O43924 1/20 0.58
TYMS P04818 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.55
POLB P06746 2/20 0.54
CASP6 P55212 1/20 0.54
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
HPGD P15428 1/20 0.47
MAPK1 P28482 1/20 0.47
S100B P04271 1/20 0.47
GAA P10253 1/20 0.47
CASP1 P29466 1/20 0.47

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
SCHEMBL1514286 0.90 L3MBTL1 (0.73) KMT2AMEN1KDM4EALDH1A1L3MBTL1
SCHEMBL14172750 0.82 KMT2A (0.72) KMT2AMEN1KDM4EALDH1A1L3MBTL1
SCHEMBL9290287 0.82 PDE6D (0.82) KMT2AMEN1KDM4EALDH1A1L3MBTL1
SCHEMBL5535530 0.81 ATM (0.52) KMT2AMEN1ALDH1A1L3MBTL1PDE6D
SCHEMBL7825377 0.81 TYMS (0.71) KMT2AMEN1KDM4EALDH1A1L3MBTL1
SCHEMBL29549557 0.81 TYMS (0.71) KMT2AMEN1KDM4EALDH1A1L3MBTL1
SCHEMBL3841868 0.80 L3MBTL1 (0.75) KMT2AMEN1KDM4EALDH1A1L3MBTL1
SCHEMBL14510297 0.79 KMT2A (0.59) KMT2AMEN1KDM4EALDH1A1L3MBTL1
SCHEMBL16521562 0.79 MEN1 (0.58) KMT2AMEN1KDM4EALDH1A1L3MBTL1
SCHEMBL10869116 0.78 PDE6D (0.81) KMT2AMEN1KDM4EALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1621531-B1 Catayzed vapor-phase hydrocyanation of diolefinic compounds INVISTA TECH SARL (US) 2007-03-14 EP claimed
EP-1214290-B1 MULTIDENTATE PHOSPHITE LIGANDS, CATALYTIC COMPOSITIONS CONTAINING THEM AND THEIR USE IN HYDROCYANATION REACTIONS INVISTA TECH SARL (US) 2006-11-02 EP claimed
EP-0891323-B1 CATALYZED VAPOR-PHASE HYDROCYANATION OF DIOLEFINIC COMPOUNDS INVISTA TECH SARL (US) 2006-06-14 EP claimed
EP-1000020-B1 HYDROCYANATION OF DIOLEFINS AND ISOMERIZATION OF NONCONJUGATED 2-ALKYL-3-MONOALKENENITRILES DU PONT (US) 2003-04-09 EP claimed
EP-1000021-B1 HYDROCYANATION OF DIOLEFINS AND ISOMERIZATION OF NONCONJUGATED 2-ALYKL-3-MONOALKENENITRILES DU PONT (US) 2002-10-02 EP claimed
EP-0804412-B1 HYDROCYANATION OF DIOLEFINS AND ISOMERIZATION OF NONCONJUGATED 2-ALKYL-3-MONOALKENENITRILES DU PONT (US) 1999-12-01 EP claimed
US-20070123514-A1 Methods of modulating neurotrophin-mediated activity PAINCEPTOR PHARMA CORPORATION (CA) 2007-05-31 US disclosed
WO-2007030939-A2 METHODS OF MODULATING NEUROTROPHIN-MEDIATED ACTIVITY PAINCEPTOR PHARMA CORPORATION (CA) 2007-03-22 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-20070123514-A1 Methods of modulating neurotrophin-mediated activity NGF, BDNF, NTRK2 KMT2A 4267/4885MEN1 3865/4885KDM4E 4479/4885

“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.