SCHEMBL27440455

SCHEMBL27440455

COc1cc(N2CCC(C)CC2)nc(-c2ccc(C#N)c(F)c2)c1Br

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 18/20 0.49
▸ KCNH2 Q12809 1/20 0.43
▸ CYP11B1 P15538 1/20 0.42
▸ CYP11B2 P19099 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ CASP1 P29466 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ CASP7 P55210 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ L3MBTL1 Q9Y468 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
SCHEMBL26695687 0.91 KDM1A (0.59) KDM1AKCNH2
SCHEMBL30711912 0.89 CYP11B1 (0.52) KDM1ACYP11B1CYP11B2KDM4EALDH1A1
SCHEMBL26695761 0.87 KDM1A (0.46) KDM1AKCNH2CYP11B1CYP11B2
SCHEMBL27440449 0.87 KDM1A (0.61) KDM1AKCNH2
SCHEMBL30711954 0.86 CYP11B1 (0.47) KDM1AKCNH2CYP11B1CYP11B2
SCHEMBL27440826 0.86 KDM1A (0.49) KDM1AKCNH2CYP11B1CYP11B2ALDH1A1
SCHEMBL27440830 0.86 KDM1A (0.47) KDM1AKCNH2CYP11B1CYP11B2
SCHEMBL29998820 0.86 KDM1A (0.46) KDM1AKCNH2
SCHEMBL29105921 0.86 KDM1A (0.48) KDM1AKCNH2
SCHEMBL26695612 0.86 KDM1A (0.46) KDM1AKCNH2

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-20240216357-A1 POLYCYCLIC COMPOUND AND APPLICATION THEREOF SICHUAN HUIYU PHARMACEUTICAL CO., LTD. (CN) 2024-07-04 — — 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-20240216357-A1 POLYCYCLIC COMPOUND AND APPLICATION THEREOF KDM1A, TET1, KDM3A KDM1A 1/4885KCNH2 1927/4885CYP11B1 207/4885

“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.

Send feedback