SCHEMBL3568098

SCHEMBL3568098

COc1ccccc1-c1nnc(Cc2ccc3cc(C(=O)O)sc3c2)o1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 7/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
TSHR P16473 2/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
PTK2 Q05397 1/20 0.42
POLB P06746 1/20 0.42
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 4/20 0.41
HSD17B10 Q99714 3/20 0.41
KDM4E B2RXH2 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
EGFR P00533 2/20 0.41
APLNR P35414 1/20 0.41
ANO1 Q5XXA6 1/20 0.41
ANO2 Q9NQ90 1/20 0.41
RAB9A P51151 3/20 0.41
NPC1 O15118 2/20 0.41
THRB P10828 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL3565979 0.82 HPGD (0.56) HPGDSMN1; SMN2TSHRLMNATP53
SCHEMBL2440740 0.79 HPGD (0.52) HPGDSMN1; SMN2LMNATP53PTK2
SCHEMBL3566006 0.77 PPARD (0.39) HPGDSMN1; SMN2LMNATP53POLB
SCHEMBL3503806 0.72 MAPT (0.53) HPGDSMN1; SMN2TSHRLMNATP53
SCHEMBL2437020 0.71 CTSS (0.48) HPGDSMN1; SMN2LMNATP53PTK2
SCHEMBL3566125 0.70 TBXAS1 (0.48) KMT2AGPR35TBXAS1
SCHEMBL11825943 0.69 EGFR (0.53) HPGDSMN1; SMN2PTK2POLBKMT2A
SCHEMBL11822985 0.69 RAB9A (0.67) HPGDSMN1; SMN2TSHRLMNATP53
SCHEMBL11615095 0.68 ALDH1A1 (0.58) HPGDSMN1; SMN2TSHRLMNATP53
SCHEMBL17842764 0.68 TBXAS1 (0.52) LMNATP53KMT2AGPR35TBXAS1

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
EP-1874295-A4 BENZOTHIOPHENE DERIVATIVES MERCK & CO INC (US) 2009-08-12 EP claimed
US-20090082308-A1 Benzothiophene derivatives MERCK SHARP & DOHME LLC 2009-03-26 US claimed
EP-1874295-A1 BENZOTHIOPHENE DERIVATIVES Merck & Co., Inc. (US) 2008-01-09 EP claimed
WO-2006115845-A1 BENZOTHIOPHENE DERIVATIVES MERCK & CO., INC. (US) 2006-11-02 WO 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 HPGD 352/4885SMN1; SMN2 1431/4885TSHR 1190/4885

“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.