SCHEMBL5166807

SCHEMBL5166807

CC(=O)Nc1cc2c3c(cc(NC(C)=O)cc3c1)C(=O)N(c1cc(C(=O)O)ccc1Cl)C2=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
KLK7 P49862 1/20 0.41
ALDH1A1 P00352 5/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
HPGD P15428 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
LMNA P02545 1/20 0.41
HSP90AA1 P07900 1/20 0.41
G6PD P11413 1/20 0.41
PKM P14618 1/20 0.41
ALOX12 P18054 1/20 0.41
HTT P42858 1/20 0.41
CCR6 P51684 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
CA1 P00915 2/20 0.40
CA9 Q16790 2/20 0.40
CA12 O43570 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
SCHEMBL5533685 0.94 CYP2C9 (0.54) CYP2C9CYP2C19KLK7ALDH1A1MEN1
SCHEMBL5159753 0.93 CYP2C9 (0.55) CYP2C9CYP2C19KLK7ALDH1A1MEN1
SCHEMBL5160278 0.80 CYP2C9 (0.55) CYP2C9CYP2C19KLK7ALDH1A1MEN1
SCHEMBL5153048 0.80 CYP2C9 (0.46) CYP2C9CYP2C19ALDH1A1MEN1KMT2A
SCHEMBL5159288 0.79 MEN1 (0.60) KLK7ALDH1A1MEN1KMT2AHPGD
SCHEMBL5163261 0.79 CYP2C19 (0.49) CYP2C9CYP2C19ALDH1A1MEN1KMT2A
SCHEMBL14502327 0.77 TDP1 (0.56) CYP2C9CYP2C19ALDH1A1MEN1KMT2A
SCHEMBL5160000 0.76 MEN1 (0.65) CYP2C9CYP2C19ALDH1A1MEN1KMT2A
SCHEMBL5148383 0.74 KLK7 (0.55) CYP2C9CYP2C19KLK7ALDH1A1MEN1
SCHEMBL5167514 0.74 CYP2C9 (0.56) CYP2C9CYP2C19ALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070123514-A1 Methods of modulating neurotrophin-mediated activity PAINCEPTOR PHARMA CORPORATION (CA) 2007-05-31 US claimed
WO-2007030939-A2 METHODS OF MODULATING NEUROTROPHIN-MEDIATED ACTIVITY PAINCEPTOR PHARMA CORPORATION (CA) 2007-03-22 WO claimed
US-20070123514-A1 Methods of modulating neurotrophin-mediated activity PAINCEPTOR PHARMA CORPORATION (CA) 2007-05-31 US disclosed
US-20070123514-A1 Methods of modulating neurotrophin-mediated activity PAINCEPTOR PHARMA CORPORATION (CA) 2007-05-31 US disclosed
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 CYP2C9 4879/4885CYP2C19 4871/4885KLK7 2172/4885

“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.