SCHEMBL20096641

SCHEMBL20096641

CC(C)(C)OC(=O)Nc1cc(F)c(C#N)cc1N

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.46
EGLN2 Q96KS0 2/20 0.44
GPR119 Q8TDV5 1/20 0.43
AAK1 Q2M2I8 8/20 0.38
CYP17A1 P05093 1/20 0.38
KCNQ4 P56696 1/20 0.36
KCNQ5 Q9NR82 1/20 0.36
KDM4D Q6B0I6 1/20 0.35
RORC P51449 1/20 0.35
AR P10275 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
CTSS P25774 1/20 0.34

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
SCHEMBL29430592 1.00 TRPA1 (0.46) TRPA1EGLN2GPR119AAK1CYP17A1
SCHEMBL24121371 0.85 TRPA1 (0.37) TRPA1EGLN2AAK1ARRXFP1
SCHEMBL197226 0.84 AAK1 (0.43) AAK1CYP17A1KCNQ4KCNQ5RXFP1
SCHEMBL29430661 0.84 HSP90AA1 (0.37) TRPA1EGLN2AAK1RORC
SCHEMBL20096644 0.84 TRPA1 (0.46) TRPA1EGLN2GPR119AAK1CYP17A1
SCHEMBL6162611 0.82 TRPA1 (0.38) TRPA1EGLN2AAK1KCNQ4KCNQ5
SCHEMBL22073609 0.82 TRPA1 (0.40) TRPA1EGLN2AAK1AR
SCHEMBL31030313 0.82 TRPA1 (0.46) TRPA1EGLN2GPR119AAK1CYP17A1
SCHEMBL6162554 0.80 HTT (0.44) TRPA1EGLN2GPR119AAK1CYP17A1
SCHEMBL29430885 0.80 HTT (0.44) TRPA1EGLN2GPR119AAK1CYP17A1

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 TRPA1 4882/4885EGLN2 834/4885GPR119 3622/4885
US-20180127386-A1 METHODS USING HDAC11 INHIBITORS HDAC11, HDAC1, HDAC10 TRPA1 4882/4885EGLN2 834/4885GPR119 3622/4885
US-20190084945-A1 METHODS USING HDAC11 INHIBITORS HDAC11, HDAC1, HDAC10 TRPA1 4882/4885EGLN2 834/4885GPR119 3622/4885
US-20190084946-A1 METHODS USING HDAC11 INHIBITORS HDAC11, HDAC1, HDAC10 TRPA1 4882/4885EGLN2 834/4885GPR119 3622/4885

“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.