SCHEMBL21226552

SCHEMBL21226552

COC(=O)Cc1ccc2c(c1)N(C(=O)OC(C)(C)C)CCS2

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 2/20 0.40
ALOX15 P16050 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
HSD17B10 Q99714 1/20 0.40
GFER P55789 2/20 0.39
MAPT P10636 4/20 0.38
POLB P06746 1/20 0.37
RAB9A P51151 1/20 0.37
NOTUM Q6P988 1/20 0.37
GAA P10253 1/20 0.37
SHMT2 P34897 1/20 0.37
TP53 P04637 1/20 0.36

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
SCHEMBL21450553 0.91 HDAC1 (0.43) HDAC1HDAC6ALDH1A1KDM4EALOX15
SCHEMBL18593252 0.81 KDM4E (0.64) HDAC1HDAC6ALDH1A1KDM4EALOX15
SCHEMBL25292482 0.78 MAPT (0.48) HDAC1HDAC6ALDH1A1MAPTPOLB
SCHEMBL21226551 0.77 HDAC1 (0.42) HDAC1HDAC6ALDH1A1GFERMAPT
SCHEMBL22397595 0.76 MPO (0.55) HDAC1HDAC6ALDH1A1KDM4EALOX15
SCHEMBL18593249 0.76 NOTUM (0.64) HDAC1HDAC6KDM4EMAPTPOLB
SCHEMBL29913803 0.75 NOTUM (0.39) ALDH1A1KDM4EALOX15CASP1CASP7
SCHEMBL21450554 0.75 HDAC1 (0.42) HDAC1HDAC6ALDH1A1GFERMAPT
SCHEMBL31607953 0.70 SMN1; SMN2 (0.50) ALDH1A1MAPTRAB9A
SCHEMBL31341976 0.70 L3MBTL1 (0.48) ALDH1A1ALOX15HSD17B10MAPTGAA

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-20210139439-A1 [6,6] FUSED BICYCLIC HDAC8 INHIBITORS VALO HEALTH, INC. 2021-05-13 US disclosed
US-10370343-B2 [6,6] Fused bicyclic HDAC8 inhibitors FORMA THERAPEUTICS, INC. (US) 2019-08-06 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-20210139439-A1 [6,6] FUSED BICYCLIC HDAC8 INHIBITORS HDAC8, HDAC3, HDAC2 HDAC1 4/4885HDAC6 10/4885ALDH1A1 1338/4885
US-10370343-B2 [6,6] Fused bicyclic HDAC8 inhibitors HDAC8, HDAC3, HDAC2 HDAC1 4/4885HDAC6 10/4885ALDH1A1 1338/4885

“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.