SCHEMBL18612546

SCHEMBL18612546

COC(=O)c1ccc2c(c1)N(Cc1ccc(OC(F)(F)F)cc1)CCO2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 1/20 0.49
▸ MRGPRX4 Q96LA9 1/20 0.45
▸ KCNH2 Q12809 2/20 0.43
▸ SCN1A P35498 1/20 0.43
▸ SCN4A P35499 1/20 0.43
▸ SCN5A Q14524 1/20 0.43
▸ SCN9A Q15858 1/20 0.43
▸ SCN2A Q99250 1/20 0.43
▸ SCN3A Q9NY46 1/20 0.43
▸ SCN8A Q9UQD0 1/20 0.43
▸ SCN10A Q9Y5Y9 1/20 0.43
▸ P2RY1 P47900 1/20 0.43
▸ HDAC1 Q13547 2/20 0.42
▸ HDAC6 Q9UBN7 2/20 0.42
▸ LSS P48449 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ ROCK2 O75116 1/20 0.42
▸ ROCK1 Q13464 1/20 0.42
▸ SIRT1 Q96EB6 1/20 0.41

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
SCHEMBL18593256 0.91 KCNH2 (0.43) CYP2C9KCNH2SCN1ASCN4ASCN5A
SCHEMBL18581189 0.89 CYP2C9 (0.53) CYP2C9HDAC1HDAC6SMN1; SMN2ROCK2
SCHEMBL18581428 0.89 HDAC6 (0.53) KCNH2SCN1ASCN4ASCN5ASCN9A
SCHEMBL28629242 0.89 CYP2C9 (0.50) CYP2C9HDAC1HDAC6SMN1; SMN2ROCK2
SCHEMBL18581215 0.85 CYP2C9 (0.54) CYP2C9HDAC1HDAC6HPGDSMN1; SMN2
SCHEMBL28624625 0.80 GAA (0.47) CYP2C9HDAC1HDAC6SMN1; SMN2ROCK2
SCHEMBL18581835 0.79 HDAC6 (0.58) HDAC1HDAC6SMN1; SMN2TSHRRAB9A
SCHEMBL17957654 0.76 ROCK2 (0.53) CYP2C9KCNH2SCN1ASCN4ASCN5A
SCHEMBL6915258 0.76 HDAC1 (0.45) CYP2C9KCNH2HDAC1HDAC6SMN1; SMN2
SCHEMBL23769113 0.76 ROCK2 (0.50) CYP2C9SCN9AHDAC1HDAC6HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210139439-A1 [6,6] FUSED BICYCLIC HDAC8 INHIBITORS VALO HEALTH, INC. 2021-05-13 — — US disclosed
US-10829460-B2 [6,6] fused bicyclic HDAC8 inhibitors VALO EARLY DISCOVERY, INC. (US) 2020-11-10 — — US disclosed
US-20190308946-A1 [6,6] FUSED BICYCLIC HDAC8 INHIBITORS VALO HEALTH, INC. 2019-10-10 — — US disclosed
US-10370343-B2 [6,6] Fused bicyclic HDAC8 inhibitors FORMA THERAPEUTICS, INC. (US) 2019-08-06 — — US disclosed
US-10029995-B2 [6,6] fused bicyclic HDAC8 inhibitors FORMA THERAPEUTICS, INC. (US) 2018-07-24 — — US disclosed
US-20170066729-A1 [6,6] FUSED BICYCLIC HDAC8 INHIBITORS Valo Health, LLC 2017-03-09 — — US disclosed
WO-2017040963-A1 [6,6] FUSED BICYCLIC HDAC8 INHIBITORS FORMA THERAPEUTICS, INC. (US) 2017-03-09 — — 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 (6 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-20170066729-A1 [6,6] FUSED BICYCLIC HDAC8 INHIBITORS HDAC8, HDAC3, HDAC2 CYP2C9 874/4885MRGPRX4 1870/4885KCNH2 2468/4885
US-20210139439-A1 [6,6] FUSED BICYCLIC HDAC8 INHIBITORS HDAC8, HDAC3, HDAC2 CYP2C9 874/4885MRGPRX4 1870/4885KCNH2 2468/4885
US-10370343-B2 [6,6] Fused bicyclic HDAC8 inhibitors HDAC8, HDAC3, HDAC2 CYP2C9 874/4885MRGPRX4 1870/4885KCNH2 2468/4885
US-20190308946-A1 [6,6] FUSED BICYCLIC HDAC8 INHIBITORS HDAC8, HDAC3, HDAC2 CYP2C9 874/4885MRGPRX4 1870/4885KCNH2 2468/4885
US-10829460-B2 [6,6] fused bicyclic HDAC8 inhibitors HDAC8, HDAC1, HDAC2 CYP2C9 2641/4885MRGPRX4 2728/4885KCNH2 1787/4885
US-10029995-B2 [6,6] fused bicyclic HDAC8 inhibitors HDAC8, HDAC3, HDAC2 CYP2C9 874/4885MRGPRX4 1870/4885KCNH2 2468/4885

“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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