SCHEMBL22304547

SCHEMBL22304547

CCc1c(F)cc(C(C)C)cc1C(C)C

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.44
GABRB2 P47870 1/20 0.44
FABP3 P05413 2/20 0.38
FABP4 P15090 2/20 0.38
FABP5 Q01469 1/20 0.37
EIF4A3 P38919 1/20 0.33
SOAT2 O75908 1/20 0.32
MYC P01106 1/20 0.32
SOAT1 P35610 1/20 0.32
MAP2K3 P46734 1/20 0.32
GCGR P47871 1/20 0.32
GABRG2 P18507 1/20 0.30
GABRB3 P28472 1/20 0.30
HSP90AB1 P08238 1/20 0.30

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
SCHEMBL14404556 0.87 EIF4A3 (0.37) GABRA1GABRB2FABP3FABP4EIF4A3
SCHEMBL28217295 0.85 GABRA1 (0.46) GABRA1GABRB2FABP3FABP4FABP5
SCHEMBL12447347 0.82 GCGR (0.36) GABRA1GCGRGABRG2GABRB3HSP90AB1
SCHEMBL19658127 0.78 TAAR1 (0.44) GABRA1GABRB2GCGRGABRG2GABRB3
SCHEMBL31076106 0.78 ADRB2 (0.36) GABRA1GABRB2EIF4A3
SCHEMBL31075804 0.76 EIF4A3 (0.34) GABRA1GABRB2EIF4A3
SCHEMBL25138922 0.74 GCGR (0.38) GABRA1GCGRGABRG2GABRB3
SCHEMBL12248246 0.74 GABRA1 (0.50) GABRA1GABRB2FABP3FABP4FABP5
SCHEMBL25736473 0.73
SCHEMBL22657432 0.72 EIF4A3 (0.36) GABRA1GABRB2EIF4A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210277007-A1 HETERO-HALO INHIBITORS OF HISTONE DEACETYLASE JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2021-09-09 US disclosed
US-10919902-B2 Hetero-halo inhibitors of histone deacetylase ALKERMES, INC. (US) 2021-02-16 US disclosed
US-20200247814-A1 HETERO-HALO INHIBITORS OF HISTONE DEACETYLASE JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2020-08-06 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 (3 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-20200247814-A1 HETERO-HALO INHIBITORS OF HISTONE DEACETYLASE HDAC2, HDAC1, HDAC6 GABRA1 379/4885GABRB2 394/4885FABP3 3593/4885
US-10919902-B2 Hetero-halo inhibitors of histone deacetylase HDAC2, HDAC1, HDAC6 GABRA1 379/4885GABRB2 394/4885FABP3 3593/4885
US-20210277007-A1 HETERO-HALO INHIBITORS OF HISTONE DEACETYLASE HDAC2, HDAC1, HDAC6 GABRA1 379/4885GABRB2 394/4885FABP3 3593/4885

“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.