SCHEMBL20364262

SCHEMBL20364262

Cc1cc2c(cn1)CN(C(=O)C(F)(F)F)C2

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.44
ESR2 Q92731 4/20 0.44
HDAC1 Q13547 2/20 0.41
HDAC2 Q92769 2/20 0.41
ABHD6 Q9BV23 6/20 0.38
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
PDK2 Q15119 3/20 0.35
RIPK1 Q13546 2/20 0.34
SLC6A9 P48067 1/20 0.34
ALDH1A1 P00352 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
SCHEMBL30142971 0.79 HDAC1 (0.46) HDAC1HDAC2ALDH1A1
SCHEMBL20078111 0.77 HDAC1 (0.47) ESR1ESR2HDAC1HDAC2ABHD6
SCHEMBL20364260 0.77 ESR1 (0.44) ESR1ESR2ABHD6
SCHEMBL18379795 0.76 NR1H2 (0.48) ESR2HDAC1HDAC2
SCHEMBL20078110 0.76 HSP90AA1 (0.52) ESR1ESR2HDAC1HDAC2ABHD6
SCHEMBL25045623 0.76 HDAC1 (0.36) HDAC1HDAC2
SCHEMBL25202681 0.73 ESR1 (0.46) ESR1ESR2ABHD6HDAC8HDAC6
SCHEMBL20364261 0.72 ESR1 (0.40) ESR1ESR2
SCHEMBL25604134 0.71 ABHD6 (0.56) ESR1ESR2ABHD6
SCHEMBL7786861 0.70 ESR1 (0.53) ESR1ESR2ABHD6HDAC8HDAC6

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-11858939-B2 Hetero-halo inhibitors of histone deacetylase ALKERMES, INC. (US) 2024-01-02 US disclosed
US-20180194769-A1 HETERO-HALO INHIBITORS OF HISTONE DEACETYLASE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-07-12 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 (2 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-11858939-B2 Hetero-halo inhibitors of histone deacetylase HDAC2, HDAC1, HDAC6 ESR1 4856/4885ESR2 3923/4885HDAC1 2/4885
US-20180194769-A1 HETERO-HALO INHIBITORS OF HISTONE DEACETYLASE HDAC2, HDAC1, HDAC6 ESR1 4856/4885ESR2 3923/4885HDAC1 2/4885

“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.