SCHEMBL18593256

SCHEMBL18593256

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ 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
▸ LSS P48449 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ GRM2 Q14416 1/20 0.41
▸ P2RY1 P47900 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ TSHR P16473 1/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ ROCK2 O75116 1/20 0.39
▸ ROCK1 Q13464 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
SCHEMBL18612546 0.91 CYP2C9 (0.49) KCNH2SCN1ASCN4ASCN5ASCN9A
SCHEMBL18581428 0.88 HDAC6 (0.53) KCNH2SCN1ASCN4ASCN5ASCN9A
SCHEMBL18581189 0.80 CYP2C9 (0.53) SMN1; SMN2ALDH1A1TSHRHDAC1HDAC6
SCHEMBL28629242 0.79 CYP2C9 (0.50) SMN1; SMN2HDAC1HDAC6ROCK2ROCK1
SCHEMBL28615405 0.76 HDAC1 (0.46) HDAC1HDAC6ARPTGER4RAB9A
SCHEMBL18581835 0.76 HDAC6 (0.58) SMN1; SMN2TSHRHDAC1HDAC6RAB9A
SCHEMBL18593244 0.76 PTGER3 (0.55) HPGDSMN1; SMN2CYP2C9ARRAB9A
SCHEMBL18581215 0.75 CYP2C9 (0.54) HPGDSMN1; SMN2ALDH1A1TSHRHDAC1
SCHEMBL18620520 0.74 CPT1A (0.45) SMN1; SMN2ALDH1A1CYP2C9
SCHEMBL18581361 0.74 HDAC6 (0.59) HDAC1HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 KCNH2 2468/4885SCN1A 1822/4885SCN4A 1188/4885
US-10029995-B2 [6,6] fused bicyclic HDAC8 inhibitors HDAC8, HDAC3, HDAC2 KCNH2 2468/4885SCN1A 1822/4885SCN4A 1188/4885

“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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