SCHEMBL3090731

SCHEMBL3090731

NCc1c(-c2ccc(F)cc2F)ncn1Cc1ccc(F)cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 4/20 0.39
CYP3A4 P08684 2/20 0.39
LMNA P02545 2/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
DPP4 P27487 2/20 0.38
ALDH1A1 P00352 2/20 0.37
HTT P42858 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MAPK1 P28482 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TGFBR1 P36897 1/20 0.36
CNR2 P34972 2/20 0.36
ATM Q13315 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
RORC P51449 1/20 0.35
KIT P10721 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
SCHEMBL3078422 0.93 ALDH1A1 (0.38) P2RX7CYP3A4LMNATP53MAPT
SCHEMBL3091396 0.91 KDM4C (0.43) P2RX7DPP4TGFBR1CNR2
SCHEMBL3096196 0.91 CNR1 (0.36) P2RX7CYP3A4LMNATP53MAPT
SCHEMBL3096527 0.90 DPP4 (0.41) DPP4SMN1; SMN2TGFBR1KIT
SCHEMBL3092355 0.88 DPP4 (0.42) P2RX7CYP3A4LMNATP53MAPT
SCHEMBL3096790 0.86 DPP4 (0.40) DPP4TGFBR1RORCKIT
SCHEMBL3089159 0.86 CNR1 (0.40) P2RX7LMNATP53MAPTDPP4
SCHEMBL3089834 0.85 CNR1 (0.43) CYP3A4DPP4HTTSMN1; SMN2MAPK1
SCHEMBL3096357 0.85 DPP4 (0.41) DPP4HTTSMN1; SMN2TGFBR1MEN1
SCHEMBL3604333 0.85 KDM4C (0.44) P2RX7LMNADPP4ALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7728146-B2 Enzyme inhibitors PROBIODRUG AG (DE) 2010-06-01 US claimed
US-20100234397-A1 ENZYME INHIBITORS PROBIODRUG AG (DE) 2010-09-16 US disclosed
US-20100234397-A1 ENZYME INHIBITORS PROBIODRUG AG (DE) 2010-09-16 US disclosed
US-20100234397-A1 ENZYME INHIBITORS PROBIODRUG AG (DE) 2010-09-16 US disclosed
US-7728146-B2 Enzyme inhibitors PROBIODRUG AG (DE) 2010-06-01 US disclosed
US-7728146-B2 Enzyme inhibitors PROBIODRUG AG (DE) 2010-06-01 US disclosed
US-7728146-B2 Enzyme inhibitors PROBIODRUG AG (DE) 2010-06-01 US disclosed
US-20070244177-A1 ENZYME INHIBITORS PROBIODRUG AG (DE) 2007-10-18 US disclosed
US-20070244177-A1 ENZYME INHIBITORS PROBIODRUG AG (DE) 2007-10-18 US disclosed
WO-2007116092-A1 ENZYME INHIBITORS PROBIODRUG AG (DE) 2007-10-18 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 (2 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-20070244177-A1 ENZYME INHIBITORS ACHE, BACE1, MAOA P2RX7 2321/4885CYP3A4 90/4885LMNA 1714/4885
US-20100234397-A1 ENZYME INHIBITORS ACHE, MAOA, BACE1 P2RX7 2025/4885CYP3A4 107/4885LMNA 1967/4885

“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.