SCHEMBL996809

SCHEMBL996809

Cc1ccc(C(=O)c2ccn(C)c2C=CC(=O)NO)cc1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 12/20 0.60
HDAC8 Q9BY41 12/20 0.60
HDAC10 Q969S8 11/20 0.60
HDAC4 P56524 11/20 0.60
HDAC3 O15379 9/20 0.60
HDAC2 Q92769 9/20 0.60
HDAC6 Q9UBN7 9/20 0.60
HDAC7 Q8WUI4 8/20 0.60
HDAC11 Q96DB2 8/20 0.60
HDAC9 Q9UKV0 8/20 0.60
HDAC5 Q9UQL6 8/20 0.60
LMNA P02545 2/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL1249453 0.77 HDAC8 (0.47) HDAC1HDAC8HDAC10HDAC4HDAC3
SCHEMBL3218780 0.75 HDAC8 (1.00) HDAC1HDAC8HDAC10HDAC4HDAC3
SCHEMBL3218796 0.75 HDAC8 (1.00) HDAC1HDAC8HDAC10HDAC4HDAC3
SCHEMBL11727844 0.72 ALDH1A1 (0.54) LMNAALDH1A1
SCHEMBL10449499 0.69 HDAC1 (0.67) HDAC1HDAC8HDAC10HDAC4HDAC3
SCHEMBL10457552 0.69 HDAC1 (0.67) HDAC1HDAC8HDAC10HDAC4HDAC3
SCHEMBL1520861 0.67 ALDH1A1 (0.73) HDAC1HDAC8HDAC10HDAC4HDAC3
SCHEMBL6024937 0.65 PTGS2 (0.51) LMNAALDH1A1
SCHEMBL12732943 0.63 HDAC8 (0.55) HDAC1HDAC8HDAC10HDAC4HDAC3
SCHEMBL29867042 0.63 HDAC8 (0.55) HDAC1HDAC8HDAC10HDAC4HDAC3

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
EP-2272982-A1 Method for treatment of prostate cancer and diagnosing of patients benefiting from the same VALTION TEKNILLINEN TUTKIMUSKESKUS (FI) 2011-01-12 EP disclosed
US-20100215638-A1 METHOD FOR TREATMENT OF PROSTATE CANCER AND SCREENING OF PATIENTS BENEFITING FROM SAID METHOD VALTION TEKNILLINEN TUTKIMUSKESKUS (FI) 2010-08-26 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-20100215638-A1 METHOD FOR TREATMENT OF PROSTATE CANCER AND SCREENING OF PATIENTS BENEFITING FROM SAID METHOD ERG, KLK3, ESRRB HDAC1 2212/4885HDAC8 934/4885HDAC10 1873/4885

“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.