SCHEMBL20132852

SCHEMBL20132852

COC(=O)c1cccc(Nc2nc3cc(C#N)c(C(F)(F)F)cc3n2CCCCCNC(=O)OC(C)(C)C)c1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ STING1 Q86WV6 8/20 0.44
▸ MC4R P32245 1/20 0.43
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ KIF11 P52732 3/20 0.41
▸ BRD4 O60885 3/20 0.39
▸ ADORA2A P29274 1/20 0.38
▸ HDAC11 Q96DB2 1/20 0.38
▸ EHMT2 Q96KQ7 1/20 0.36
▸ AR P10275 1/20 0.36
▸ CACNA1G O43497 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
SCHEMBL20132853 0.92 HDAC11 (0.47) STING1MC4RCYP3A4CYP2D6CYP2C9
SCHEMBL20096640 0.88 MC4R (0.41) STING1MC4RCYP3A4CYP2D6CYP2C9
SCHEMBL20096646 0.87 MC4R (0.43) STING1MC4RCYP3A4CYP2D6CYP2C9
SCHEMBL20096586 0.84 STING1 (0.49) STING1MC4RCYP3A4CYP2D6CYP2C9
SCHEMBL20096655 0.84 KIF11 (0.46) CYP2C9KIF11ADORA2AHDAC11EHMT2
SCHEMBL29754097 0.81 HDAC11 (0.53) KIF11HDAC11
SCHEMBL20096570 0.81 HDAC11 (0.53) KIF11HDAC11
SCHEMBL20096698 0.81 KIF11 (0.46) CYP2C9KIF11ADORA2AHDAC11EHMT2
SCHEMBL20096421 0.78 HDAC11 (0.51) KIF11HDAC11
SCHEMBL20096633 0.78 HDAC11 (0.50) STING1MC4RKIF11ADORA2AHDAC11

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 STING1 3889/4885MC4R 3988/4885CYP3A4 4528/4885
US-20180127386-A1 METHODS USING HDAC11 INHIBITORS HDAC11, HDAC1, HDAC10 STING1 3889/4885MC4R 3988/4885CYP3A4 4528/4885
US-20190084945-A1 METHODS USING HDAC11 INHIBITORS HDAC11, HDAC1, HDAC10 STING1 3889/4885MC4R 3988/4885CYP3A4 4528/4885
US-20190084946-A1 METHODS USING HDAC11 INHIBITORS HDAC11, HDAC1, HDAC10 STING1 3889/4885MC4R 3988/4885CYP3A4 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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