SCHEMBL16852212

SCHEMBL16852212

CC1Cn2cc(C(=O)NO)cc2C(C)N1C(=O)c1ccc(-n2cccn2)cc1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.39
▸ HDAC4 P56524 1/20 0.39
▸ ABCG2 Q9UNQ0 1/20 0.38
▸ HRH3 Q9Y5N1 3/20 0.38
▸ KCNH2 Q12809 1/20 0.37
▸ DGAT1 O75907 2/20 0.36
▸ FASN P49327 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.35
▸ HDAC6 Q9UBN7 3/20 0.35
▸ CHRM1 P11229 1/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ SLC6A7 Q99884 1/20 0.35
▸ GPR119 Q8TDV5 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
SCHEMBL16852213 0.77 HDAC6 (0.55) HDAC4HDAC6HDAC1
SCHEMBL12210741 0.73 HDAC1 (0.42) HDAC6CHRM1HDAC1
SCHEMBL28185332 0.73 HRH3 (0.49) TP53HDAC4ABCG2HRH3KCNH2
SCHEMBL15154760 0.68 GAA (0.61) TP53ABCG2HRH3KCNH2GPR119
SCHEMBL609355 0.66 TP53 (0.68) TP53HDAC4HRH3KCNH2MAPT
SCHEMBL2413094 0.65 PDE2A (0.54) HDAC6HDAC1
SCHEMBL17981410 0.65 MAPT (0.47) TP53HDAC4ABCG2HRH3KCNH2
SCHEMBL17984279 0.65 MAPT (0.47) TP53HDAC4ABCG2HRH3KCNH2
SCHEMBL12211128 0.64 HDAC6 (0.59) KCNH2MAPTHDAC6HDAC1
SCHEMBL16722020 0.63 BRD4 (0.52) TP53HDAC4ABCG2HRH3KCNH2

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-20150175614-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. 2015-06-25 — — US disclosed
US-20150175614-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. 2015-06-25 — — 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-20150175614-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, H1-3 TP53 3697/4885HDAC4 13/4885ABCG2 3131/4885

“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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