SCHEMBL3851575

SCHEMBL3851575

CC(=O)Nc1cc2c3c(cccc3c1)C(=O)N(CCCC(=O)O)C2=O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.67
MEN1 O00255 4/20 0.67
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C19 P33261 1/20 0.56
ALDH1A1 P00352 6/20 0.55
HPGD P15428 3/20 0.55
MAPT P10636 3/20 0.55
THRB P10828 1/20 0.55
KLK7 P49862 1/20 0.55
KDM4E B2RXH2 8/20 0.54
SMN1; SMN2 Q16637 3/20 0.52
FTO Q9C0B1 1/20 0.52
POLB P06746 2/20 0.51
LMNA P02545 1/20 0.51
RXFP1 Q9HBX9 1/20 0.51
GAA P10253 1/20 0.51
HSD17B10 Q99714 1/20 0.49
HDAC3 O15379 1/20 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
SCHEMBL3852558 0.91 KMT2A (0.54) KMT2AMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL14557208 0.89 KLK7 (0.57) KMT2AMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL5123962 0.86 KDM4E (0.64) KMT2AMEN1CYP1A2ALDH1A1HPGD
SCHEMBL8395426 0.84 SIRT1 (0.65) CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1
SCHEMBL4152854 0.84 KMT2A (0.48) KMT2AMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL3852327 0.83 HPGD (0.54) KMT2AMEN1ALDH1A1HPGDMAPT
SCHEMBL11440392 0.83 FTO (0.71) KMT2AMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL8671343 0.83 KLK7 (0.51) KMT2AMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL3134908 0.82 MEN1 (1.00) KMT2AMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL21572660 0.81 FTO (0.64) KMT2AMEN1CYP1A2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7579468-B2 Methods of modulating neurotrophin-mediated activity PAINCEPTOR PHARMA CORPORATION (CA) 2009-08-25 US claimed
US-20070093474-A1 Methods of modulating neurotrophin-mediated activity PAINCEPTOR PHARMA CORPORATION (CA) 2007-04-26 US claimed
US-7579468-B2 Methods of modulating neurotrophin-mediated activity PAINCEPTOR PHARMA CORPORATION (CA) 2009-08-25 US disclosed
US-7579468-B2 Methods of modulating neurotrophin-mediated activity PAINCEPTOR PHARMA CORPORATION (CA) 2009-08-25 US disclosed
US-7579468-B2 Methods of modulating neurotrophin-mediated activity PAINCEPTOR PHARMA CORPORATION (CA) 2009-08-25 US disclosed
US-20070093474-A1 Methods of modulating neurotrophin-mediated activity PAINCEPTOR PHARMA CORPORATION (CA) 2007-04-26 US disclosed
US-20070093474-A1 Methods of modulating neurotrophin-mediated activity PAINCEPTOR PHARMA CORPORATION (CA) 2007-04-26 US disclosed
US-20070093474-A1 Methods of modulating neurotrophin-mediated activity PAINCEPTOR PHARMA CORPORATION (CA) 2007-04-26 US disclosed
WO-2007030940-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-20070093474-A1 Methods of modulating neurotrophin-mediated activity NGF, BDNF, NTRK2 KMT2A 4267/4885MEN1 3865/4885CYP1A2 4822/4885

“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.