SCHEMBL26036636

SCHEMBL26036636

CC(C)N(C)C(=O)c1cc(F)ccc1-n1nc(C2CCCCC2)c2ccncc21

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 7/20 0.35
KDM5A P29375 2/20 0.35
KDM5B Q9UGL1 2/20 0.35
PTGDR2 Q9Y5Y4 2/20 0.34
HCRTR1 O43613 5/20 0.33
HCRTR2 O43614 5/20 0.33
CNR1 P21554 2/20 0.32
CNR2 P34972 2/20 0.32
CFD P00746 2/20 0.32
PIM1 P11309 1/20 0.32
PIM3 Q86V86 1/20 0.32
PIM2 Q9P1W9 1/20 0.32

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
SCHEMBL25135208 0.87 GPR6 (0.32) KDM4CPTGDR2
SCHEMBL19972693 0.85 SMN1; SMN2 (0.40)
SCHEMBL26036634 0.85 KDM4C (0.45) KDM4CKDM5AKDM5B
SCHEMBL21141438 0.82 OPRM1 (0.35) KDM4CKDM5AKDM5BPTGDR2HCRTR1
SCHEMBL31001662 0.78 CDK9 (0.34)
SCHEMBL19972583 0.78 CDK9 (0.34)
SCHEMBL19972695 0.75 HTR6 (0.37) PTGDR2HCRTR1HCRTR2
SCHEMBL25348453 0.75 HTR6 (0.35) PTGDR2HCRTR1HCRTR2
SCHEMBL19972464 0.75 HTR6 (0.35) PTGDR2HCRTR1HCRTR2
SCHEMBL25135187 0.75 DRD2 (0.41)

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-11739085-B2 Inhibitors of the menin-MLL interaction VITAE PHARMACEUTICALS, LLC (US) 2023-08-29 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-11739085-B2 Inhibitors of the menin-MLL interaction MLLT1, MEN1, MLLT3 KDM4C 397/4885KDM5A 249/4885KDM5B 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.