SCHEMBL22436668

SCHEMBL22436668

CCc1c(Br)c(C(O)CCCN2CCOCC2)nn1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.38
KDM4E B2RXH2 2/20 0.38
PIM1 P11309 2/20 0.37
MAPK1 P28482 2/20 0.35
CYP1A2 P05177 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
HTR2A P28223 1/20 0.35
SCN1A P35498 1/20 0.35
HTR2B P41595 1/20 0.35
KCNH2 Q12809 1/20 0.35
SCN2A Q99250 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
SCN3A Q9NY46 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
USP2 O75604 1/20 0.34
LMNA P02545 1/20 0.34
TLR7 Q9NYK1 1/20 0.33
KEAP1 Q14145 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL30679120 1.00 ALDH1A1 (0.38) ALDH1A1KDM4EPIM1MAPK1CYP1A2
SCHEMBL22436698 0.94 ALDH1A1 (0.39) ALDH1A1KDM4EPIM1USP2LMNA
SCHEMBL30679099 0.94 ALDH1A1 (0.39) ALDH1A1KDM4EPIM1USP2LMNA
SCHEMBL22436691 0.81 CSNK2A2 (0.38)
SCHEMBL30679058 0.81 CSNK2A2 (0.38)
SCHEMBL22437561 0.79
SCHEMBL22436705 0.79 ALDH1A1 (0.39) ALDH1A1KDM4EMAPK1CYP1A2CHRM2
SCHEMBL22436703 0.79 ALDH1A1 (0.39) ALDH1A1KDM4EMAPK1CYP1A2CHRM2
SCHEMBL22436795 0.78 ALDH1A1 (0.40) ALDH1A1KDM4EPIM1MAPK1USP2
SCHEMBL30679119 0.78 ALDH1A1 (0.40) ALDH1A1KDM4EPIM1MAPK1USP2

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-11440923-B2 Substituted macrocyclic indole derivatives BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2022-09-13 US disclosed
EP-3710451-A1 SUBSTITUTED MACROCYCLIC INDOLE DERIVATIVES Bayer Aktiengesellschaft (DE) 2020-09-23 EP 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-11440923-B2 Substituted macrocyclic indole derivatives FOXM1, CCND2, CCNI ALDH1A1 1000/4885KDM4E 1649/4885PIM1 185/4885

“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.