SCHEMBL20132853

SCHEMBL20132853

CC(C)(C)OC(=O)NCCCCCn1c(Nc2cccc(C(=O)NO)c2)nc2cc(C#N)c(C(F)(F)F)cc21

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HDAC11 Q96DB2 2/20 0.47
▸ STING1 Q86WV6 8/20 0.45
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ MC4R P32245 1/20 0.42
▸ ADORA2A P29274 1/20 0.39
▸ BRD4 O60885 2/20 0.38
▸ HDAC6 Q9UBN7 3/20 0.38
▸ EGFR P00533 1/20 0.37
▸ SCN9A Q15858 1/20 0.36
▸ AR P10275 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
SCHEMBL20132852 0.92 STING1 (0.44) HDAC11STING1CYP3A4CYP2D6CYP2C9
SCHEMBL20096646 0.88 MC4R (0.43) HDAC11STING1CYP3A4CYP2D6CYP2C9
SCHEMBL20096640 0.86 MC4R (0.41) STING1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL29624720 0.86 HDAC11 (0.50) HDAC11STING1MC4RADORA2AHDAC6
SCHEMBL20096633 0.86 HDAC11 (0.50) HDAC11STING1MC4RADORA2AHDAC6
SCHEMBL29624666 0.84 HDAC11 (0.53) HDAC11CYP2C9ADORA2AHDAC6SCN9A
SCHEMBL20096430 0.84 HDAC11 (0.53) HDAC11CYP2C9ADORA2AHDAC6SCN9A
Formic Acid SCHEMBL20816468 0.83 HDAC11 (0.48) HDAC11STING1MC4RADORA2AHDAC6
SCHEMBL20096428 0.81 HDAC11 (0.51) HDAC11CYP2C9ADORA2AHDAC6SCN9A
SCHEMBL20096579 0.81 HDAC11 (0.67) HDAC11HDAC6SCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11345672-B2 Methods using HDAC11 inhibitors VALO HEALTH, INC. (US) 2022-05-31 — — US disclosed
US-20190084946-A1 METHODS USING HDAC11 INHIBITORS Valo Health, LLC 2019-03-21 — — US disclosed
US-20190084945-A1 METHODS USING HDAC11 INHIBITORS VALO HEALTH, INC. 2019-03-21 — — US disclosed
US-20180127386-A1 METHODS USING HDAC11 INHIBITORS VALO EARLY DISCOVERY, INC. 2018-05-10 — — 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 (4 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-11345672-B2 Methods using HDAC11 inhibitors HDAC11, HDAC1, HDAC10 HDAC11 1/4885STING1 3889/4885CYP3A4 4528/4885
US-20180127386-A1 METHODS USING HDAC11 INHIBITORS HDAC11, HDAC1, HDAC10 HDAC11 1/4885STING1 3889/4885CYP3A4 4528/4885
US-20190084945-A1 METHODS USING HDAC11 INHIBITORS HDAC11, HDAC1, HDAC10 HDAC11 1/4885STING1 3889/4885CYP3A4 4528/4885
US-20190084946-A1 METHODS USING HDAC11 INHIBITORS HDAC11, HDAC1, HDAC10 HDAC11 1/4885STING1 3889/4885CYP3A4 4528/4885

“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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