SCHEMBL20096655

SCHEMBL20096655

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

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 7/20 0.46
▸ HDAC11 Q96DB2 1/20 0.44
▸ TSHR P16473 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ SCN9A Q15858 1/20 0.40
▸ ADORA2A P29274 4/20 0.40
▸ MAPT P10636 1/20 0.40
▸ EHMT2 Q96KQ7 1/20 0.39
▸ ITK Q08881 2/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ OPRK1 P41145 1/20 0.39
▸ IRAK4 Q9NWZ3 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 0.97 KIF11 (0.46) KIF11HDAC11TSHRNPSR1SCN9A
SCHEMBL20096430 0.93 HDAC11 (0.53) KIF11HDAC11SCN9AADORA2AITK
SCHEMBL29624666 0.93 HDAC11 (0.53) KIF11HDAC11SCN9AADORA2AITK
SCHEMBL20132833 0.90 KIF11 (0.46) KIF11HDAC11SCN9AADORA2AITK
SCHEMBL20096428 0.89 HDAC11 (0.51) KIF11HDAC11SCN9AADORA2AITK
SCHEMBL20096570 0.89 HDAC11 (0.53) KIF11HDAC11TSHRSCN9AMAPT
SCHEMBL29754097 0.89 HDAC11 (0.53) KIF11HDAC11TSHRSCN9AMAPT
SCHEMBL20096421 0.85 HDAC11 (0.51) KIF11HDAC11TSHRSCN9AMAPT
SCHEMBL20096656 0.84 KIF11 (0.45) KIF11HDAC11TSHRSCN9AMAPT
SCHEMBL20132852 0.84 STING1 (0.44) KIF11HDAC11ADORA2AEHMT2CYP2C9

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-20180127386-A1 METHODS USING HDAC11 INHIBITORS VALO EARLY DISCOVERY, INC. 2018-05-10 — — US disclosed
WO-2018075959-A1 METHODS USING HDAC11 INHIBITORS FORMA THERAPEUTICS, INC. (US) 2018-04-26 — — WO 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 1/4885TSHR 3985/4885
US-20180127386-A1 METHODS USING HDAC11 INHIBITORS HDAC11, HDAC1, HDAC10 KIF11 269/4885HDAC11 1/4885TSHR 3985/4885
US-20190084945-A1 METHODS USING HDAC11 INHIBITORS HDAC11, HDAC1, HDAC10 KIF11 269/4885HDAC11 1/4885TSHR 3985/4885
US-20190084946-A1 METHODS USING HDAC11 INHIBITORS HDAC11, HDAC1, HDAC10 KIF11 269/4885HDAC11 1/4885TSHR 3985/4885

“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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