SCHEMBL25949783

SCHEMBL25949783

Cc1cc(Br)c(F)nc1C1CC1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 4/20 0.35
KDM1B Q8NB78 2/20 0.35
CYP11B2 P19099 3/20 0.33
TLR9 Q9NR96 1/20 0.32
TLR8 Q9NR97 1/20 0.32
TLR7 Q9NYK1 1/20 0.32
IGF1R P08069 1/20 0.31
CYP11B1 P15538 1/20 0.31
CHRM4 P08173 1/20 0.31
KCNH2 Q12809 2/20 0.30

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
SCHEMBL25928266 0.77 CYP11B1 (0.34) CYP11B2IGF1RCYP11B1
SCHEMBL21608929 0.75 CHRM4 (0.32) CYP11B2TLR9TLR8TLR7CYP11B1
SCHEMBL25928308 0.70 KDM1A (0.32) KDM1AKDM1BCHRM4
SCHEMBL25928305 0.70 CHRM4 (0.31) CHRM4
SCHEMBL25928274 0.70 PTGS1 (0.32) CYP11B2IGF1RCYP11B1
SCHEMBL16132537 0.69 L3MBTL1 (0.38) CHRM4
SCHEMBL23612780 0.67 CNR2 (0.33) IGF1R
SCHEMBL25928229 0.67 CNR2 (0.37)
SCHEMBL25928325 0.67
SCHEMBL25928312 0.67 ADORA2A (0.33) CYP11B2CYP11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11718626-B2 Macrocyclic compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2023-08-08 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-11718626-B2 Macrocyclic compounds for treatment of medical disorders CFD, TFPI, CFH KDM1A 4766/4885KDM1B 4745/4885CYP11B2 196/4885

“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.