SCHEMBL12926164

SCHEMBL12926164

Cc1cc2cc(C(=O)NO)sc2cc1C

nearest known ligand 0.78

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 17/20 0.78
HDAC3 O15379 7/20 0.78
HDAC4 P56524 7/20 0.78
HDAC7 Q8WUI4 7/20 0.78
HDAC2 Q92769 7/20 0.78
HDAC10 Q969S8 7/20 0.78
HDAC11 Q96DB2 7/20 0.78
HDAC8 Q9BY41 7/20 0.78
HDAC6 Q9UBN7 7/20 0.78
HDAC9 Q9UKV0 7/20 0.78
HDAC5 Q9UQL6 7/20 0.78
STING1 Q86WV6 2/20 0.53

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
SCHEMBL10221595 0.81 GPR35 (0.63) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL20022320 0.81 DYRK1A (0.58) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL8213112 0.80 HDAC1 (0.53) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL13556331 0.80 HDAC1 (0.56) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL10052926 0.79 HDAC1 (1.00) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL17149302 0.79 HDAC1 (0.76) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL10400717 0.77 HDAC1 (0.80) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL10400705 0.76 HDAC1 (0.78) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL13036365 0.75 HDAC2 (0.53) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL13556330 0.74 CA12 (0.50) HDAC1HDAC3HDAC4HDAC7HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7872024-B2 Benzothiophene hydroxamic acid derivatives with carbamate, urea, amide and sulfonamide substitutions MERCK SHARP & DOHME CORP. (US) 2011-01-18 US disclosed
US-7772238-B2 Benzothiophene hydroxamic acid derivatives MERCK SHARP & DOHME CORP. (US) 2010-08-10 US disclosed
US-20090318541-A1 Benzothiophene hydroxamic acid derivatives with carbamate, urea, amide and sulfonamide substitutions MERCK SHARP & DOHME LLC 2009-12-24 US disclosed
US-20090069391-A1 Benzothiophene hydroxamic acid derivatives MERCK SHARP & DOHME LLC 2009-03-12 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-20090318541-A1 Benzothiophene hydroxamic acid derivatives with carbamate, urea, amide and sulfonamide substitutions HDAC5, HAT1, BRDT HDAC1 4/4885HDAC3 11/4885HDAC4 5/4885
US-20090069391-A1 Benzothiophene hydroxamic acid derivatives BRDT, HDAC5, BRPF3 HDAC1 4/4885HDAC3 8/4885HDAC4 5/4885

“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.