SCHEMBL3078422

SCHEMBL3078422

NCc1c(-c2ccc(F)cc2Cl)ncn1Cc1ccc(F)cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
HTT P42858 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
LMNA P02545 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAPK1 P28482 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TP53 P04637 2/20 0.37
DPP4 P27487 2/20 0.37
MAPT P10636 1/20 0.37
CNR2 P34972 2/20 0.37
ATM Q13315 2/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
GRM2 Q14416 1/20 0.36
P2RX7 Q99572 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
SCHEMBL3092355 0.95 DPP4 (0.42) ALDH1A1HTTSMN1; SMN2LMNAMAPK1
SCHEMBL3096196 0.93 CNR1 (0.36) SMN1; SMN2LMNATP53DPP4MAPT
SCHEMBL3090731 0.93 P2RX7 (0.39) ALDH1A1HTTSMN1; SMN2LMNAL3MBTL1
SCHEMBL3604333 0.92 KDM4C (0.44) ALDH1A1HTTSMN1; SMN2LMNADPP4
SCHEMBL3089159 0.90 CNR1 (0.40) LMNATP53DPP4MAPTP2RX7
SCHEMBL3088769 0.89 CDK9 (0.39) DPP4MAPTKMT2AMEN1GRM2
SCHEMBL3092256 0.88 CNR1 (0.39) ALDH1A1DPP4MAPTGRM2KDM4C
SCHEMBL3089834 0.87 CNR1 (0.43) HTTSMN1; SMN2MAPK1DPP4CYP1A2
SCHEMBL3089615 0.87 P2RX7 (0.42) DPP4P2RX7KDM4C
SCHEMBL3088192 0.87 DPP4 (0.46) HTTSMN1; SMN2MAPK1DPP4P2RX7

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-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-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 ALDH1A1 38/4885HTT 573/4885SMN1; SMN2 1091/4885
US-20100234397-A1 ENZYME INHIBITORS ACHE, MAOA, BACE1 ALDH1A1 39/4885HTT 1051/4885SMN1; SMN2 1093/4885

“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.