SCHEMBL5145369

SCHEMBL5145369

CC1=NNC(=O)C1=C(c1ccc(F)cc1)c1ccc(-c2ccc(C(=O)O)cc2)o1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.43
XPA P23025 1/20 0.43
PDE4B Q07343 3/20 0.42
PDE4D Q08499 1/20 0.42
NQO2 P16083 1/20 0.42
BCL2L1 Q07817 1/20 0.41
BAD Q92934 1/20 0.41
ENPP2 Q13822 1/20 0.41
KDM4E B2RXH2 7/20 0.40
ALDH1A1 P00352 5/20 0.40
TDP1 Q9NUW8 4/20 0.40
MAPT P10636 3/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
POLB P06746 2/20 0.40
KMT2A Q03164 2/20 0.40
GAA P10253 1/20 0.40
PKM P14618 1/20 0.40
RECQL P46063 1/20 0.40
SAE1 Q9UBE0 1/20 0.40
UBA2 Q9UBT2 1/20 0.40

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
SCHEMBL446575 0.75 CA1 (0.43) KDM4EALDH1A1TDP1MAPTL3MBTL1
SCHEMBL5147453 0.71 KCNH2 (0.42) KDM4EALDH1A1TDP1MAPTL3MBTL1
SCHEMBL5145311 0.70 GSK3A (0.51) KDM4EALDH1A1TDP1MAPTL3MBTL1
SCHEMBL3054179 0.70 ALDH1A1 (0.70) PTPN1PDE4BPDE4DNQO2KDM4E
SCHEMBL5145398 0.68 ENPP2 (0.43) PTPN1XPAPDE4BPDE4DNQO2
SCHEMBL5147288 0.68 GSK3B (0.44) NQO2KDM4EALDH1A1TDP1MAPT
SCHEMBL700768 0.68 ALDH1A1 (0.56) PTPN1NQO2KDM4EALDH1A1TDP1
SCHEMBL13078607 0.66 SLC9A1 (0.59) PTPN1PDE4BPDE4DNQO2KDM4E
SCHEMBL16346518 0.65 HPGD (0.53) PTPN1NQO2KDM4EALDH1A1TDP1
SCHEMBL5963142 0.65 TDP1 (0.69) NQO2BCL2L1BADKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1718308-A4 METHODS OF MODULATING NEUROTROPHIN-MEDIATED ACTIVITY PAINCEPTOR PHARMA CORP (CA) 2007-07-18 EP disclosed
EP-1718308-A2 METHODS OF MODULATING NEUROTROPHIN-MEDIATED ACTIVITY PainCeptor Pharma Corp. (CA) 2006-11-08 EP disclosed
US-20050282840-A1 Methods of modulating neurotrophin-mediated activity PAINCEPTOR PHARMA CORPORATION (CA) 2005-12-22 US disclosed
WO-2005076695-A2 METHODS OF MODULATING NEUROTROPHIN-MEDIATED ACTIVITY PAINCEPTOR PHARMA CORPORATION (CA) 2005-08-25 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-20050282840-A1 Methods of modulating neurotrophin-mediated activity NGF, BDNF, NTRK2 PTPN1 2566/4885XPA 1422/4885PDE4B 531/4885

“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.