Sugi Predict

Sugi Predict / Compounds / SCHEMBL3565979

SCHEMBL3565979

SCHEMBL3565979

COc1ccc(-c2nnc(Cc3ccc4cc(C(=O)O)sc4c3)o2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 5/20 0.56
▸ MAPT P10636 3/20 0.56
▸ KDM4E B2RXH2 3/20 0.56
▸ HSD17B10 Q99714 3/20 0.56
▸ ALDH1A1 P00352 2/20 0.56
▸ TSHR P16473 2/20 0.56
▸ RAB9A P51151 2/20 0.56
▸ SMN1; SMN2 Q16637 4/20 0.48
▸ POLB P06746 1/20 0.46
▸ HDAC8 Q9BY41 2/20 0.45
▸ MEN1 O00255 2/20 0.43
▸ CACNA1B Q00975 2/20 0.43
▸ APBA1 Q02410 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ EGFR P00533 1/20 0.43
▸ ERBB2 P04626 1/20 0.43
▸ LMNA P02545 1/20 0.42
▸ TP53 P04637 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
SCHEMBL3503806 0.89 MAPT (0.53) HPGDMAPTKDM4EHSD17B10ALDH1A1
SCHEMBL3574078 0.83 HDAC1 (0.55) HPGDMAPTKDM4EHSD17B10ALDH1A1
SCHEMBL3568098 0.82 HPGD (0.43) HPGDMAPTKDM4EHSD17B10ALDH1A1
SCHEMBL914782 0.72 BCL2L1 (0.54) KDM4ERAB9ASMN1; SMN2CYP2C19HDAC1
SCHEMBL3566125 0.72 TBXAS1 (0.48) HDAC8MEN1KMT2AHDAC1TBXAS1
SCHEMBL18810121 0.71 HDAC6 (0.72) HPGDMAPTKDM4EHSD17B10ALDH1A1
SCHEMBL29020102 0.71 BCL2L1 (0.53) KDM4ERAB9ASMN1; SMN2CYP2C19HDAC1
SCHEMBL4075809 0.70 HDAC1 (0.63) KDM4EALDH1A1RAB9ASMN1; SMN2MEN1
SCHEMBL17842764 0.69 TBXAS1 (0.52) HDAC8MEN1KMT2ALMNATP53
SCHEMBL11822985 0.69 RAB9A (0.67) HPGDMAPTKDM4EHSD17B10ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7834034-B2 Benzothiophene derivatives MERCK SHARP & DOHME CORP. (US) 2010-11-16 — — US disclosed
US-7834034-B2 Benzothiophene derivatives MERCK SHARP & DOHME CORP. (US) 2010-11-16 — — US disclosed
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
US-20090082308-A1 Benzothiophene derivatives MERCK SHARP & DOHME LLC 2009-03-26 — — US 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 HPGD 352/4885MAPT 782/4885KDM4E 161/4885

“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.