SCHEMBL2539436

SCHEMBL2539436

Fc1ccccc1CNc1ccc2[nH]cnc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.56
GAA P10253 4/20 0.56
L3MBTL1 Q9Y468 4/20 0.52
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
CYP1A2 P05177 2/20 0.52
CYP2C9 P11712 2/20 0.52
CYP2C19 P33261 2/20 0.52
ATM Q13315 1/20 0.52
PLA2G1B P04054 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
ATG4B Q9Y4P1 1/20 0.52
ALDH1A1 P00352 2/20 0.48
HPGD P15428 1/20 0.48
NTRK1 P04629 2/20 0.47
NTRK3 Q16288 1/20 0.47
NTRK2 Q16620 1/20 0.47
TGFBR1 P36897 1/20 0.45
KDM4E B2RXH2 2/20 0.43

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
SCHEMBL2546756 0.82 HAO1 (0.40) MAPTGAAMEN1KMT2AALDH1A1
SCHEMBL2538625 0.80 IP6K1 (0.63) MAPTMEN1KMT2ACYP1A2CYP2D6
SCHEMBL2546746 0.78 NTRK1 (0.47) NTRK1NTRK3NTRK2IP6K1HTT
SCHEMBL18669149 0.75 QPCT (0.44) MAPTGAAL3MBTL1PLA2G1BATG4B
SCHEMBL2541353 0.75 QPCT (0.54) L3MBTL1IP6K1HTTQPCT
SCHEMBL2546278 0.75 QPCT (0.46) MAPTGAAMEN1KMT2ATP53
SCHEMBL2544226 0.75 IP6K1 (0.36) MAPTALDH1A1HPGDNTRK1KDM4E
SCHEMBL2545578 0.75 INSR (0.50) CYP1A2CYP2C9CYP2C19CYP3A4CYP2D6
SCHEMBL14675897 0.74 TSHR (0.37) MAPTGAAMEN1KMT2ACYP1A2
SCHEMBL2544972 0.74 QPCT (0.45) MAPTTGFBR1QPCT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8541596-B2 Inhibitors PROBIODRUG AG (DE) 2013-09-24 US disclosed
US-8541596-B2 Inhibitors PROBIODRUG AG (DE) 2013-09-24 US disclosed
EP-2560953-A2 NOVEL INHIBITORS Probiodrug AG (DE) 2013-02-27 EP disclosed
WO-2011131748-A2 NOVEL INHIBITORS PROBIODRUG AG (DE) 2011-10-27 WO disclosed
WO-2011131748-A2 NOVEL INHIBITORS PROBIODRUG AG (DE) 2011-10-27 WO disclosed
US-20110262388-A1 NOVEL INHIBITORS PROBIODRUG AG (DE) 2011-10-27 US disclosed
US-20110262388-A1 NOVEL INHIBITORS PROBIODRUG AG (DE) 2011-10-27 US 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-20110262388-A1 NOVEL INHIBITORS GLUL, QPCT, GLS MAPT 3971/4885GAA 238/4885L3MBTL1 3006/4885

“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.