SCHEMBL20132833

SCHEMBL20132833

COCCn1c(Nc2cccc(C(=O)O)c2)nc2cc(C(F)(F)F)c(C#N)cc21

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 8/20 0.46
▸ HDAC11 Q96DB2 1/20 0.43
▸ ITK Q08881 1/20 0.41
▸ CSNK2A1 P68400 1/20 0.40
▸ EIF4EBP1 Q13541 2/20 0.40
▸ SCN9A Q15858 1/20 0.40
▸ ADORA2A P29274 4/20 0.40
▸ CYP2C9 P11712 1/20 0.39
▸ IRAK4 Q9NWZ3 1/20 0.39
▸ PDE8A O60658 1/20 0.39
▸ PDE4A P27815 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
SCHEMBL20096698 0.93 KIF11 (0.46) KIF11HDAC11ITKSCN9AADORA2A
SCHEMBL20096428 0.93 HDAC11 (0.51) KIF11HDAC11ITKSCN9AADORA2A
SCHEMBL20096655 0.90 KIF11 (0.46) KIF11HDAC11ITKSCN9AADORA2A
SCHEMBL29624666 0.89 HDAC11 (0.53) KIF11HDAC11ITKSCN9AADORA2A
SCHEMBL20096430 0.89 HDAC11 (0.53) KIF11HDAC11ITKSCN9AADORA2A
SCHEMBL20132892 0.87 HDAC11 (0.52) KIF11HDAC11CSNK2A1SCN9APDE8A
SCHEMBL20096544 0.86 KIF11 (0.36) KIF11HDAC11ITKSCN9AADORA2A
SCHEMBL20096695 0.84 KIF11 (0.35) KIF11HDAC11ITKSCN9AADORA2A
SCHEMBL20096820 0.83 HDAC11 (0.44) KIF11HDAC11CSNK2A1SCN9APDE8A
SCHEMBL20096421 0.82 HDAC11 (0.51) KIF11HDAC11SCN9A

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 5 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-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 KIF11 269/4885HDAC11 1/4885ITK 4297/4885
US-20180127386-A1 METHODS USING HDAC11 INHIBITORS HDAC11, HDAC1, HDAC10 KIF11 269/4885HDAC11 1/4885ITK 4297/4885
US-20190084945-A1 METHODS USING HDAC11 INHIBITORS HDAC11, HDAC1, HDAC10 KIF11 269/4885HDAC11 1/4885ITK 4297/4885
US-20190084946-A1 METHODS USING HDAC11 INHIBITORS HDAC11, HDAC1, HDAC10 KIF11 269/4885HDAC11 1/4885ITK 4297/4885

“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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