SCHEMBL22223268

SCHEMBL22223268

O=CCCCCc1ccc2cccnc2n1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.49
SUCNR1 Q9BXA5 16/20 0.46
PDE10A Q9Y233 2/20 0.42
OXGR1 Q96P68 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL22223345 0.85 SUCNR1 (0.46) ALDH1A1SUCNR1PDE10AOXGR1
SCHEMBL6129289 0.81 KCNH2 (0.55) ALDH1A1SUCNR1PDE10AOXGR1
SCHEMBL20517681 0.80 SUCNR1 (0.49) SUCNR1PDE10AOXGR1KDM4EMEN1
SCHEMBL29955429 0.79 ALDH1A1 (0.56) ALDH1A1SUCNR1PDE10AOXGR1KDM4E
SCHEMBL30930276 0.78 SUCNR1 (0.50) SUCNR1PDE10AOXGR1
SCHEMBL24193793 0.78 SUCNR1 (0.57) SUCNR1OXGR1KDM4EMEN1LMNA
SCHEMBL30471836 0.78 SUCNR1 (0.57) SUCNR1OXGR1KDM4EMEN1LMNA
SCHEMBL276117 0.78 SUCNR1 (0.50) ALDH1A1SUCNR1PDE10AOXGR1KDM4E
SCHEMBL6899530 0.78 SUCNR1 (0.47) ALDH1A1SUCNR1PDE10AOXGR1
SCHEMBL20140387 0.76 PDE10A (0.45) ALDH1A1SUCNR1PDE10AOXGR1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220204976-A1 RNAi Agents for Inhibiting Expression of HIF-2 alpha (EPAS1), Compositions Thereof, and Methods of Use SIXTH STREETLENDING PARTNERS, AS THE ADMINISTRATIVE AGENT 2022-06-30 US disclosed
US-20210093725-A1 INTEGRIN TARGETING LIGANDS AND USES THEREOF SIXTH STREETLENDING PARTNERS, AS THE ADMINISTRATIVE AGENT 2021-04-01 US disclosed
WO-2020146521-A2 RNAI AGENTS FOR INHIBITING EXPRESSION OF HIF-2 ALPHA (EPAS1), COMPOSITIONS THEREOF, AND METHODS OF USE Arrowhead Pharmaceuticals, Inc. (US) 2020-07-16 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-20210093725-A1 INTEGRIN TARGETING LIGANDS AND USES THEREOF ITGAV, ITGA5, ITGB5 ALDH1A1 2970/4885SUCNR1 2824/4885PDE10A 4639/4885
US-20220204976-A1 RNAi Agents for Inhibiting Expression of HIF-2 alpha (EPAS1), Compositions Thereof, and Methods of Use EPAS1, HIF1AN, HIF1A ALDH1A1 693/4885SUCNR1 564/4885PDE10A 1998/4885

“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.