SCHEMBL21716653

SCHEMBL21716653

CCN(CCN(C)C)C(=O)CNC(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
TSHR P16473 1/20 0.42
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA7 P43166 1/20 0.39
CA14 Q9ULX7 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
KDM5C P41229 6/20 0.37
KDM5B Q9UGL1 6/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
KDM5A P29375 5/20 0.37
KDM4C Q9H3R0 2/20 0.37
GAA P10253 1/20 0.36
KDM6B O15054 1/20 0.36
KDM4A O75164 1/20 0.36
KDM2B Q8NHM5 1/20 0.36
KDM5D Q9BY66 1/20 0.36

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
SCHEMBL19212990 0.91 ALDH1A1 (0.39) ALDH1A1MEN1KMT2ATSHRCA12
SCHEMBL19981641 0.89 ALDH1A1 (0.46) ALDH1A1MEN1KMT2ATSHRCA12
SCHEMBL21887790 0.80 MEN1 (0.43) ALDH1A1MEN1KMT2ATSHRCA12
SCHEMBL19176849 0.80 ALDH1A1 (0.41) ALDH1A1MEN1KMT2ATSHRCA12
SCHEMBL19824265 0.79 TDP1 (0.49) ALDH1A1MEN1KMT2ATSHRCA12
SCHEMBL1328516 0.78 TDP1 (0.46) ALDH1A1MEN1KMT2ATSHRCA12
SCHEMBL31201814 0.77 TDP1 (0.44) ALDH1A1MEN1KMT2ATSHRCA12
SCHEMBL26444510 0.77 CA14 (0.44) ALDH1A1MEN1KMT2ATSHRCA12
SCHEMBL3757130 0.77 TDP1 (0.44) ALDH1A1MEN1KMT2ATSHRCA12
SCHEMBL3683152 0.76 TDP1 (0.44) ALDH1A1MEN1KMT2ATSHRCA12

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 ALDH1A1 1619/4885MEN1 2994/4885KMT2A 27/4885

“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.