SCHEMBL5122200

SCHEMBL5122200

COc1cccc(CNc2c(-c3ccc(C#Cc4ccccc4)s3)nc3c(OCc4ccccc4)cccn23)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATP4A P20648 3/20 0.39
ATP4B P51164 3/20 0.39
NR1H4 Q96RI1 2/20 0.38
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
MAPK1 P28482 1/20 0.38
BLM P54132 1/20 0.38
PMP22 Q01453 1/20 0.38
KMT2A Q03164 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
ABCB1 P08183 2/20 0.38
HTR1A P08908 1/20 0.38
DRD2 P14416 1/20 0.38
SALL4 Q9UJQ4 1/20 0.38
MMP13 P45452 1/20 0.37
BCHE P06276 2/20 0.36
GAA P10253 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
SCHEMBL5123589 0.92 NR1H4 (0.42) ATP4AATP4BNR1H4MEN1CYP1A2
SCHEMBL5118769 0.91 ATP4A (0.40) ATP4AATP4BMEN1CYP1A2CYP3A4
SCHEMBL5123825 0.90 MAPT (0.43) NR1H4SALL4GAAADORA2AADORA2B
SCHEMBL5117116 0.85 NR1H4 (0.48) NR1H4CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL5118324 0.82 ALDH1A1 (0.42) NR1H4SALL4GAAADORA2AADORA2B
SCHEMBL5127415 0.81 SALL4 (0.59) NR1H4SALL4GAAADORA2AADORA2B
SCHEMBL5121120 0.80 MAPT (0.45) NR1H4GAATP53RXFP1
SCHEMBL5122967 0.80 ATP4A (0.41) ATP4AATP4BNR1H4MEN1CYP1A2
SCHEMBL5128243 0.79 ATP4A (0.41) ATP4AATP4BMEN1CYP1A2CYP3A4
SCHEMBL5122903 0.78 NR1H4 (0.43) NR1H4MEN1KMT2ASALL4GAA

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 ATP4A 2875/4885ATP4B 3069/4885NR1H4 2683/4885

“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.