SCHEMBL18046005

SCHEMBL18046005

Nc1ccc(F)cc1C=CC(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDO2 P48775 1/20 0.55
▸ KEAP1 Q14145 1/20 0.52
▸ HTT P42858 2/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ MIF P14174 1/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.43
▸ CA1 P00915 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ NFKB1 P19838 1/20 0.43
▸ CA4 P22748 1/20 0.43
▸ METAP2 P50579 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ EIF2AK2 P19525 1/20 0.41
▸ CSNK2A2 P19784 1/20 0.41
▸ CSNK2B P67870 1/20 0.41
▸ CSNK2A1 P68400 1/20 0.41
▸ EGFR P00533 1/20 0.40
▸ AR P10275 1/20 0.40
▸ HDAC3 O15379 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
SCHEMBL15866178 1.00 TDO2 (0.55) TDO2KEAP1HTTKDM4EMIF
SCHEMBL6098213 0.81 MIF (0.59) KDM4EMIFNPSR1CA1CA2
SCHEMBL6098209 0.81 MIF (0.59) KDM4EMIFNPSR1CA1CA2
SCHEMBL14086377 0.81 TDO2 (0.58) TDO2HTTKDM4EMIFCA1
SCHEMBL29535211 0.81 TDO2 (0.58) TDO2HTTKDM4EMIFCA1
SCHEMBL65190 0.81 TDO2 (0.58) TDO2HTTKDM4EMIFCA1
SCHEMBL65191 0.81 TDO2 (0.58) TDO2HTTKDM4EMIFCA1
SCHEMBL8123761 0.80 ITGB2 (0.49) KDM4EMIFNPSR1CA1CA2
SCHEMBL16290711 0.80 KDM4E (0.50) KDM4EMIFNPSR1CA1CA2
SCHEMBL16290712 0.80 KDM4E (0.50) KDM4EMIFNPSR1CA1CA2

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-20220073452-A1 ALPHA-CINNAMIDE COMPOUNDS AND COMPOSITIONS AS HDAC8 INHIBITORS VALO HEALTH, INC. 2022-03-10 — — US disclosed
EP-3932914-A1 ALPHA-CINNAMIDE COMPOUNDS AND COMPOSITIONS AS HDAC8 INHIBITORS Valo Health, Inc. (US) 2022-01-05 — — EP disclosed
US-10508077-B2 Alpha-cinnamide compounds and compositions as HDAC8 inhibitors FORMA THERAPEUTICS, INC. (US) 2019-12-17 — — US disclosed
US-20190241506-A1 ALPHA-CINNAMIDE COMPOUNDS AND COMPOSITIONS AS HDAC8 INHIBITORS VALO HEALTH, INC. 2019-08-08 — — US disclosed
US-9745253-B2 Alpha-cinnamide compounds and compositions as HDAC8 inhibitors FORMA THERAPEUTICS, INC. (US) 2017-08-29 — — US disclosed
CN-107056631-A A kind of 2 alkenyl amino benzenes compounds preparation methods reacted based on Heck 六盘水师范学院 2017-08-18 — — CN disclosed
US-20160264518-A1 ALPHA-CINNAMIDE COMPOUNDS AND COMPOSITIONS AS HDAC8 INHIBITORS Valo Health, LLC 2016-09-15 — — 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-20220073452-A1 ALPHA-CINNAMIDE COMPOUNDS AND COMPOSITIONS AS HDAC8 INHIBITORS HDAC8, HDAC7, HDAC1 TDO2 4812/4885KEAP1 374/4885HTT 974/4885
US-20160264518-A1 ALPHA-CINNAMIDE COMPOUNDS AND COMPOSITIONS AS HDAC8 INHIBITORS HDAC8, HDAC7, HDAC1 TDO2 4812/4885KEAP1 374/4885HTT 974/4885
US-10508077-B2 Alpha-cinnamide compounds and compositions as HDAC8 inhibitors HDAC8, HDAC7, HDAC1 TDO2 4812/4885KEAP1 374/4885HTT 974/4885
US-20190241506-A1 ALPHA-CINNAMIDE COMPOUNDS AND COMPOSITIONS AS HDAC8 INHIBITORS HDAC8, HDAC7, HDAC1 TDO2 4812/4885KEAP1 374/4885HTT 974/4885

“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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