SCHEMBL3862227

SCHEMBL3862227

Oc1ccnc2ccc(Cc3ccccc3)cc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 1/20 0.51
HNF4A P41235 1/20 0.45
BCL2 P10415 1/20 0.42
BCL2L1 Q07817 1/20 0.42
MPO P05164 1/20 0.41
PAX8 Q06710 1/20 0.41
KDM5B Q9UGL1 2/20 0.41
KDM4E B2RXH2 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
HIF1A Q16665 1/20 0.41
KDM4A O75164 1/20 0.40
KDM5A P29375 1/20 0.40
KDM4C Q9H3R0 1/20 0.40
IP6K1 Q92551 1/20 0.39
IP6K3 Q96PC2 1/20 0.39
IP6K2 Q9UHH9 1/20 0.39
ROCK1 Q13464 1/20 0.39
CCNC P24863 3/20 0.39
CDK8 P49336 3/20 0.39

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
SCHEMBL3871113 0.87 IDH1 (0.51) IDH1HNF4ABCL2BCL2L1MPO
SCHEMBL18685900 0.83 KDM4E (0.47) KDM4ECYP3A4CYP2C19HIF1AIP6K1
SCHEMBL10657341 0.78 TRPA1 (0.47) KDM4ECDK8SLC22A12
SCHEMBL24368246 0.77 KDM4E (0.51) KDM4EHIF1ASLC22A12
SCHEMBL1486580 0.77 IP6K1 (0.56) KDM4ECYP3A4CYP2C19HIF1AIP6K1
SCHEMBL19962377 0.77 KDM4E (0.41) IDH1KDM5BKDM4ECYP3A4CYP2C19
SCHEMBL6767541 0.75 MET (0.49) IDH1HNF4AKDM4ECYP3A4CYP2C19
SCHEMBL28723682 0.75 PIK3CA (0.59) KDM4E
SCHEMBL8810197 0.74 KDM4E (0.45) KDM5BKDM4EKDM5AIP6K1IP6K3
SCHEMBL27907349 0.74 SLC22A12 (0.39) KDM4EIP6K1IP6K3IP6K2CDK8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3659593-A1 TRMT2A INHIBITORS FOR USE IN THE TREATMENT OF POLYGLUTAMINE DISEASES Forschungszentrum Jülich GmbH/ Abteilung RP-PT (DE) 2020-06-03 EP disclosed
US-7598382-B2 Aryl substituted imidazoquinolines COLEY PHARMACEUTICAL GROUP, INC. (US) 2009-10-06 US disclosed
US-7091214-B2 Aryl substituted Imidazoquinolines 3M INNOVATIVE PROPERTIES CO. (US) 2006-08-15 US disclosed
US-20060111387-A1 ARYL SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES COMPANY 2006-05-25 US disclosed
CN-1747953-A Aryl / hetaryl substituted imidazoquinolines. 3M INNOVATIVE PROPERTIES CO (US) 2006-03-15 CN disclosed
EP-1590348-A1 ARYL / HETARYL SUBSTITUTED IMIDAZOQUINOLINES 3M Innovative Properties Company (US) 2005-11-02 EP disclosed
US-20040147543-A1 Aryl substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2004-07-29 US disclosed
WO-2004058759-A1 ARYL / HETARYL SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2004-07-15 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-20040147543-A1 Aryl substituted imidazoquinolines IL2, IFNG, IRF3 IDH1 189/4885HNF4A 315/4885BCL2 1762/4885
US-20060111387-A1 ARYL SUBSTITUTED IMIDAZOQUINOLINES IL2, IFNG, IRF3 IDH1 189/4885HNF4A 315/4885BCL2 1762/4885

“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.