SCHEMBL5144972

SCHEMBL5144972

Cc1cc([N+](=O)[O-])ccc1-c1ccc(C=C2NC(=O)N(Cc3ccccc3F)C2=O)o1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 16/20 0.62
MAPT P10636 9/20 0.62
KMT2A Q03164 8/20 0.62
TDP1 Q9NUW8 5/20 0.62
PKM P14618 3/20 0.62
HTT P42858 1/20 0.62
MEN1 O00255 7/20 0.58
POLB P06746 5/20 0.58
L3MBTL1 Q9Y468 4/20 0.58
CTDSP1 Q9GZU7 2/20 0.58
MAPK1 P28482 2/20 0.58
TDP2 O95551 1/20 0.56
KDM4E B2RXH2 10/20 0.53
APEX1 P27695 3/20 0.53
APOBEC3A P31941 1/20 0.53
APOBEC3G Q9HC16 1/20 0.53
NPSR1 Q6W5P4 2/20 0.52
RECQL P46063 2/20 0.52
LMNA P02545 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49

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
SCHEMBL5144969 1.00 ALDH1A1 (0.62) ALDH1A1MAPTKMT2ATDP1PKM
SCHEMBL6389037 0.89 ALDH1A1 (0.57) ALDH1A1MAPTKMT2ATDP1PKM
SCHEMBL6389034 0.89 ALDH1A1 (0.57) ALDH1A1MAPTKMT2ATDP1PKM
SCHEMBL5147367 0.83 TDP1 (0.63) ALDH1A1MAPTKMT2ATDP1PKM
SCHEMBL5147374 0.83 TDP1 (0.63) ALDH1A1MAPTKMT2ATDP1PKM
SCHEMBL5145004 0.73 TDP1 (0.75) ALDH1A1MAPTKMT2ATDP1PKM
SCHEMBL5145007 0.73 TDP1 (0.75) ALDH1A1MAPTKMT2ATDP1PKM
SCHEMBL5163163 0.72 MEN1 (0.61) ALDH1A1MAPTKMT2ATDP1PKM
SCHEMBL5163154 0.72 MEN1 (0.61) ALDH1A1MAPTKMT2ATDP1PKM
SCHEMBL5145276 0.72 GSK3A (0.69) ALDH1A1MAPTKMT2ATDP1MEN1

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 ALDH1A1 2413/4885MAPT 2096/4885KMT2A 4410/4885

“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.