SCHEMBL19741722

SCHEMBL19741722

C=CCN(CC=C)C(=O)C(CCCCNC(=O)OC(C)(C)C)NCc1cc(C(=O)O)ccn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 6/20 0.38
▸ MEN1 O00255 5/20 0.38
▸ KMT2A Q03164 5/20 0.38
▸ MAPT P10636 5/20 0.38
▸ TDP1 Q9NUW8 6/20 0.38
▸ ATM Q13315 1/20 0.38
▸ POLB P06746 3/20 0.37
▸ PAX8 Q06710 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ CA1 P00915 2/20 0.36
▸ CA2 P00918 2/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ BRD4 O60885 1/20 0.36
▸ ACACB O00763 1/20 0.36
▸ ACACA Q13085 1/20 0.36
▸ GLA P06280 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ CKS1B P61024 1/20 0.35
▸ SKP1 P63208 1/20 0.35
▸ SKP2 Q13309 1/20 0.35

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
SCHEMBL19741720 1.00 NPSR1 (0.38) NPSR1MEN1KMT2AMAPTTDP1
SCHEMBL19741650 0.88 KDM5B (0.37) MAPTKDM4ESIRT2KDM6BKDM4A
SCHEMBL19741652 0.88 KDM5B (0.37) MAPTKDM4ESIRT2KDM6BKDM4A
SCHEMBL19741659 0.85 KDM5B (0.39) SIRT2KDM6BKDM4AKDM5AKDM5C
SCHEMBL19741657 0.85 KDM5B (0.39) SIRT2KDM6BKDM4AKDM5AKDM5C
SCHEMBL19741740 0.84 KDM5B (0.42) SIRT2KDM6BKDM4AKDM5AKDM5C
SCHEMBL19741738 0.84 KDM5B (0.42) SIRT2KDM6BKDM4AKDM5AKDM5C
SCHEMBL19741727 0.80 KDM5B (0.41) SIRT2KDM6BKDM4AKDM5AKDM5C
SCHEMBL19741725 0.80 KDM5B (0.41) SIRT2KDM6BKDM4AKDM5AKDM5C
SCHEMBL19741656 0.80 MEN1 (0.40) NPSR1MEN1KMT2AMAPTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170369444-A1 INHIBITORS OF HISTONE DEMETHYLASES EPITHERAPEUTICS APS (DK) 2017-12-28 — — US claimed
US-20170369444-A1 INHIBITORS OF HISTONE DEMETHYLASES EPITHERAPEUTICS APS (DK) 2017-12-28 — — 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-20170369444-A1 INHIBITORS OF HISTONE DEMETHYLASES KDM1B, KDM3A, KDM1A NPSR1 3961/4885MEN1 3018/4885KMT2A 44/4885

“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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