SCHEMBL2546756

SCHEMBL2546756

Cc1cccc(CNc2ccc3[nH]cnc3c2)c1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HAO1 Q9UJM8 1/20 0.40
VCP P55072 1/20 0.39
MAPT P10636 4/20 0.38
GAA P10253 2/20 0.38
TGFBR1 P36897 1/20 0.38
ABL1 P00519 1/20 0.37
SRC P12931 1/20 0.37
IP6K1 Q92551 1/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
QPCT Q16769 3/20 0.36
PHF8 Q9UPP1 1/20 0.36
CDK1 P06493 1/20 0.36
LMNA P02545 1/20 0.36
GFER P55789 1/20 0.35
HTR2C P28335 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL2539436 0.82 MAPT (0.56) MAPTGAATGFBR1IP6K1QPCT
SCHEMBL2544226 0.79 IP6K1 (0.36) MAPTABL1SRCIP6K1NPC1
SCHEMBL2539724 0.77 QPCT (0.47) MAPTQPCTPHF8
SCHEMBL2546746 0.74 NTRK1 (0.47) IP6K1QPCT
SCHEMBL18669149 0.74 QPCT (0.44) MAPTGAAABL1SRCIP6K1
SCHEMBL2538625 0.73 IP6K1 (0.63) HAO1MAPTIP6K1RAB9AQPCT
SCHEMBL20011724 0.73 EPHX1 (0.43) MAPTIP6K1QPCTCDK1KDM4E
SCHEMBL4902107 0.73 ROCK1 (0.41) MAPTGAAABL1IP6K1RAB9A
SCHEMBL18126690 0.72 MMP12 (0.41) MAPTIP6K1QPCTKDM4EALDH1A1
SCHEMBL2545241 0.72 KDM1A (0.42) MAPTGAAIP6K1NPC1RAB9A

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 HAO1 785/4885VCP 4100/4885MAPT 3971/4885

“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.