SCHEMBL3573597

SCHEMBL3573597

CN1CCN(CC(=O)Nc2ccc3sc(C(=O)Nc4ccccc4N)cc3c2)CC1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.48
HDAC1 Q13547 2/20 0.47
CYP2C19 P33261 1/20 0.47
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HDAC2 Q92769 2/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ABCB1 P08183 2/20 0.44
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
RECQL P46063 1/20 0.42
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL3576784 0.93 MGLL (0.48) MGLLHDAC1CYP2C19LMNAGAA
SCHEMBL3568042 0.92 HDAC1 (0.49) MGLLHDAC1SMN1; SMN2HDAC2ALDH1A1
SCHEMBL3573179 0.89 HDAC1 (0.47) HDAC1HDAC2ALDH1A1KDM4ETP53
SCHEMBL3575393 0.89 WNT3A (0.51) MGLLHDAC1LMNAGAASMN1; SMN2
SCHEMBL8258577 0.85 HDAC1 (0.57) MGLLHDAC1LMNAGAASMN1; SMN2
SCHEMBL3576763 0.84 HDAC1 (0.49) MGLLHDAC1SMN1; SMN2HDAC2ALDH1A1
SCHEMBL3576103 0.82 POLB (0.53) HDAC1LMNAGAASMN1; SMN2HDAC2
SCHEMBL3560359 0.82 SMN1; SMN2 (0.53) HDAC1LMNASMN1; SMN2HDAC2MEN1
SCHEMBL3566111 0.81 HDAC1 (0.47) HDAC1HDAC2TP53MAPT
SCHEMBL3574758 0.81 WNT3A (0.51) MGLLHDAC1LMNAGAASMN1; SMN2

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 6 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
EP-1874295-A4 BENZOTHIOPHENE DERIVATIVES MERCK & CO INC (US) 2009-08-12 EP disclosed
US-20090082308-A1 Benzothiophene derivatives MERCK SHARP & DOHME LLC 2009-03-26 US disclosed
EP-1874295-A1 BENZOTHIOPHENE DERIVATIVES Merck & Co., Inc. (US) 2008-01-09 EP disclosed
WO-2006115845-A1 BENZOTHIOPHENE DERIVATIVES MERCK & CO., INC. (US) 2006-11-02 WO 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 MGLL 4816/4885HDAC1 4/4885CYP2C19 3533/4885

“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.