SCHEMBL3078359

SCHEMBL3078359

CCOc1ccccc1Cn1cnc(-c2ccc(C)cc2C)c1CN

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2L2 Q92843 2/20 0.43
L3MBTL1 Q9Y468 5/20 0.41
TSHR P16473 4/20 0.41
LMNA P02545 1/20 0.41
TNF P01375 1/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPT P10636 5/20 0.37
KDM4E B2RXH2 1/20 0.36
TP53 P04637 3/20 0.35
ALDH1A1 P00352 3/20 0.34
HSP90AA1 P07900 1/20 0.34
HSP90B1 P14625 1/20 0.34
ATM Q13315 2/20 0.34
HPGD P15428 2/20 0.34
POLB P06746 1/20 0.34
RAB9A P51151 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MAPK1 P28482 2/20 0.34
PDE5A O76074 1/20 0.34

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
SCHEMBL3084277 0.82 DPP4 (0.43) BCL2L2MAPTHSP90AA1HSP90B1PDE5A
SCHEMBL3102196 0.81 BCL2L2 (0.42) BCL2L2MAPTHSP90AA1HSP90B1MAPK1
SCHEMBL3092568 0.81 LMNA (0.43) BCL2L2LMNATNFMEN1KMT2A
SCHEMBL3099285 0.74 TNF (0.35) TSHRTNFMEN1KMT2AKDM4E
SCHEMBL3600454 0.73 NSD2 (0.33) LMNATNFMEN1KMT2AKDM4E
SCHEMBL3092637 0.71 P2RX7 (0.41) BCL2L2TSHRMEN1KMT2AALDH1A1
SCHEMBL3091146 0.70 DPP4 (0.46)
SCHEMBL13316386 0.70 BCL2L2 (0.39) BCL2L2MEN1KMT2AMAPTKDM4E
SCHEMBL3083195 0.69 DPP4 (0.39) BCL2L2HTR2B
SCHEMBL3092318 0.68 HSD17B13 (0.40) BCL2L2

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 11 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
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 BCL2L2 4168/4885L3MBTL1 1288/4885TSHR 931/4885
US-20100234397-A1 ENZYME INHIBITORS ACHE, MAOA, BACE1 BCL2L2 3933/4885L3MBTL1 2212/4885TSHR 1350/4885

“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.