SCHEMBL5123589

SCHEMBL5123589

COc1ccc(CNc2c(-c3ccc(C#Cc4ccccc4)s3)nc3c(OCc4ccccc4)cccn23)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 4/20 0.42
ATP4A P20648 3/20 0.40
ATP4B P51164 3/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
MAPK1 P28482 1/20 0.39
BLM P54132 1/20 0.39
PMP22 Q01453 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.37
TLR7 Q9NYK1 2/20 0.37
BCHE P06276 1/20 0.37
ADRB2 P07550 1/20 0.36
ATM Q13315 1/20 0.36
ABCB1 P08183 1/20 0.36
F2 P00734 1/20 0.36

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
SCHEMBL5122200 0.92 ATP4A (0.39) NR1H4ATP4AATP4BMEN1KMT2A
SCHEMBL5121120 0.88 MAPT (0.45) NR1H4L3MBTL1KDM4ENPC1ALDH1A1
SCHEMBL5118769 0.85 ATP4A (0.40) ATP4AATP4BMEN1KMT2ACYP1A2
SCHEMBL5127654 0.84 NR1H4 (0.51) NR1H4L3MBTL1ADRB2ATMKDM4E
SCHEMBL5123825 0.81 MAPT (0.43) NR1H4L3MBTL1KDM4ENPC1ALDH1A1
SCHEMBL5122967 0.81 ATP4A (0.41) NR1H4ATP4AATP4BMEN1KMT2A
SCHEMBL5128243 0.80 ATP4A (0.41) ATP4AATP4BMEN1KMT2ACYP1A2
SCHEMBL5130390 0.80 GAA (0.55) NR1H4MAPK1L3MBTL1TLR7ATM
SCHEMBL5120229 0.79 CDK9 (0.50) NR1H4KDM4EALDH1A1GAAMAPT
SCHEMBL5119525 0.78 NR1H4 (0.65) NR1H4L3MBTL1ALDH1A1GAARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7420056-B2 Substituted bicyclic imidazo-3-ylamine compounds GRUENENTHAL GMBH (DE) 2008-09-02 US disclosed
US-20070155965-A1 SUBSTITUTED BICYCLIC IMIDAZO-3-YLAMINE COMPOUNDS GRUENENTHAL GMBH. (DE) 2007-07-05 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-20070155965-A1 SUBSTITUTED BICYCLIC IMIDAZO-3-YLAMINE COMPOUNDS AADAC, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, PAICS NR1H4 2683/4885ATP4A 2875/4885ATP4B 3069/4885

“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.