SCHEMBL21716663

SCHEMBL21716663

CCN(CCN(C)C)C(=O)CNCc1cc(C(=O)Oc2ccc(OC(C)C)cc2OC(C)C)ccn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDM5B Q9UGL1 14/20 1.00
▸ KDM5C P41229 8/20 1.00
▸ KDM5A P29375 7/20 1.00
▸ KDM4C Q9H3R0 2/20 0.67
▸ KDM4A O75164 2/20 0.62
▸ KDM6B O15054 1/20 0.62
▸ KDM2B Q8NHM5 1/20 0.62
▸ KDM5D Q9BY66 1/20 0.61
▸ TP53 P04637 1/20 0.34
▸ MDM2 Q00987 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ ACKR3 P25106 1/20 0.33
▸ TOP2A P11388 1/20 0.33
▸ TSPO P30536 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
SCHEMBL21716662 0.91 KDM5B (0.84) KDM5BKDM5CKDM5AKDM4CKDM4A
SCHEMBL16291539 0.87 KDM5B (0.77) KDM5BKDM5CKDM5AKDM4CKDM4A
SCHEMBL21717736 0.85 KDM5B (0.73) KDM5BKDM5CKDM5AKDM4CKDM4A
SCHEMBL26862853 0.84 KDM5B (0.73) KDM5BKDM5CKDM5AKDM4CKDM4A
SCHEMBL21716676 0.83 KDM5B (0.72) KDM5BKDM5CKDM5AKDM4CKDM4A
SCHEMBL26862785 0.83 KDM5B (0.72) KDM5BKDM5CKDM5AKDM4CKDM4A
SCHEMBL15635919 0.83 KDM5B (0.75) KDM5BKDM5CKDM5AKDM4CKDM4A
SCHEMBL15637682 0.81 KDM5B (0.86) KDM5BKDM5CKDM5AKDM4CKDM4A
SCHEMBL16291973 0.81 KDM5B (0.71) KDM5BKDM5CKDM5AKDM4CKDM4A
SCHEMBL21716671 0.81 KDM5B (0.68) KDM5BKDM5CKDM5AKDM4CKDM4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230382865-A1 HISTONE DEMETHYLASE 5 INHIBITORS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-11-30 — — US disclosed
US-20230382865-A1 HISTONE DEMETHYLASE 5 INHIBITORS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-11-30 — — US disclosed
WO-2020033377-A1 HISTONE DEMETHYLASE 5 INHIBITORS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-02-13 — — WO 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-20230382865-A1 HISTONE DEMETHYLASE 5 INHIBITORS AND USES THEREOF KDM5A, KDM5B, KDM5C KDM5B 2/4885KDM5C 3/4885KDM5A 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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