SCHEMBL3569927

SCHEMBL3569927

CC(NC(=O)c1cccc(Cl)c1)c1ccc2cc(C(=O)Nc3ccccc3N)sc2c1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DHPS P49366 1/20 0.45
HDAC2 Q92769 4/20 0.44
USP36 Q9P275 1/20 0.44
HDAC3 O15379 6/20 0.43
HDAC1 Q13547 4/20 0.43
PTGER4 P35408 1/20 0.43
PRSS12 P56730 3/20 0.43
GPR139 Q6DWJ6 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ATM Q13315 1/20 0.42
NCOR2 Q9Y618 3/20 0.41
IDO1 P14902 2/20 0.40
KCNH2 Q12809 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL3575556 0.91 HDAC2 (0.50) DHPSHDAC2HDAC3HDAC1PRSS12
SCHEMBL3579179 0.91 HDAC2 (0.51) DHPSHDAC2HDAC3HDAC1NCOR2
SCHEMBL3561534 0.90 HDAC2 (0.45) DHPSHDAC2HDAC3HDAC1GPR139
SCHEMBL3570589 0.84 HDAC1 (0.55) HDAC2HDAC3HDAC1NCOR2
SCHEMBL3568753 0.80 HDAC2 (0.53) DHPSHDAC2HDAC1PRSS12
SCHEMBL3575528 0.80 HDAC2 (0.62) DHPSHDAC2HDAC3HDAC1PRSS12
SCHEMBL3815504 0.78 HDAC3 (0.55) DHPSHDAC2HDAC3HDAC1PRSS12
SCHEMBL3563743 0.77 HDAC2 (0.54) HDAC2HDAC3HDAC1NCOR2
SCHEMBL3566830 0.75 HDAC1 (0.51) HDAC2HDAC3HDAC1MEN1KMT2A
SCHEMBL3577453 0.75 HDAC2 (0.47) DHPSHDAC2HDAC1

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-20090082308-A1 Benzothiophene derivatives MERCK SHARP & DOHME LLC 2009-03-26 US claimed
US-7834034-B2 Benzothiophene derivatives MERCK SHARP & DOHME CORP. (US) 2010-11-16 US disclosed
US-20090082308-A1 Benzothiophene derivatives MERCK SHARP & DOHME LLC 2009-03-26 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 (1 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-20090082308-A1 Benzothiophene derivatives BRDT, HDAC5, BRPF3 DHPS 1987/4885HDAC2 8/4885USP36 1023/4885

“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.