SCHEMBL27440459

SCHEMBL27440459

COc1cc(-c2ccc(C#N)c(F)c2)nc(N2CCC(C)CC2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 5/20 0.52
▸ CYP11B2 P19099 5/20 0.52
▸ KDM1A O60341 12/20 0.50
▸ KDM4E B2RXH2 2/20 0.47
▸ MAPK1 P28482 2/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ CASP1 P29466 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ CASP7 P55210 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ HPGD P15428 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL26695718 0.85 KDM1A (0.47) CYP11B1CYP11B2KDM1A
SCHEMBL26695734 0.85 KDM1A (0.49) CYP11B1CYP11B2KDM1A
SCHEMBL27440333 0.85 CYP11B1 (0.46) CYP11B1CYP11B2KDM1AKDM4EALDH1A1
SCHEMBL26695650 0.82 KDM1A (0.44) CYP11B1CYP11B2KDM1A
SCHEMBL27449379 0.81 SUV39H2 (0.49) CYP11B1CYP11B2KDM1A
SCHEMBL27440455 0.79 KDM1A (0.49) CYP11B1CYP11B2KDM1AKDM4EMAPK1
SCHEMBL27440449 0.77 KDM1A (0.61) KDM1A
SCHEMBL27440826 0.77 KDM1A (0.49) CYP11B1CYP11B2KDM1AALDH1A1NPSR1
SCHEMBL27440830 0.77 KDM1A (0.47) CYP11B1CYP11B2KDM1A
SCHEMBL27441107 0.76 KDM1A (0.51) CYP11B1CYP11B2KDM1AKDM4EMAPK1

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 CYP11B1 207/4885CYP11B2 324/4885KDM1A 1/4885

“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.

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