SCHEMBL3052950

SCHEMBL3052950

CNc1ccc(-c2cc3ccc(O)cc3s2)cc1

nearest known ligand 0.73

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 10/20 0.73
▸ ESR2 Q92731 10/20 0.73
▸ APP P05067 7/20 0.58
▸ MAPT P10636 1/20 0.57
▸ SULT1A1 P50225 1/20 0.57
▸ HSD17B1 P14061 1/20 0.44
▸ HSD17B2 P37059 1/20 0.44
▸ HDAC3 O15379 1/20 0.42
▸ HDAC1 Q13547 1/20 0.42
▸ HDAC2 Q92769 1/20 0.42
▸ HDAC8 Q9BY41 1/20 0.42
▸ HDAC6 Q9UBN7 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
Raloxifene Core SCHEMBL2567321 0.85 ESR1 (1.00) ESR1ESR2APPHSD17B1HSD17B2
Raloxifene Core SCHEMBL29941293 0.85 ESR1 (1.00) ESR1ESR2APPHSD17B1HSD17B2
SCHEMBL13086548 0.83 ESR1 (0.58) ESR1ESR2APPMAPTHDAC3
SCHEMBL3139631 0.82 ESR1 (1.00) ESR1ESR2APPHSD17B1HSD17B2
SCHEMBL17805782 0.80 ESR1 (0.61) ESR1ESR2APPMAPTSULT1A1
SCHEMBL3066503 0.79 APP (0.59) ESR1ESR2APPMAPTHDAC6
SCHEMBL204092 0.79 ESR1 (0.80) ESR1ESR2APPHSD17B1HSD17B2
SCHEMBL13071222 0.79 ESR1 (0.80) ESR1ESR2APPHSD17B1HSD17B2
SCHEMBL27451537 0.79 APP (0.62) ESR1ESR2APPMAPTHSD17B1
SCHEMBL19171602 0.79 ESR1 (0.80) ESR1ESR2APPSULT1A1HSD17B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8497260-B2 2-arylbenzothiophene derivatives or pharmaceutically acceptable salts thereof, preparation method thereof, and pharmaceutical composition for the diagnosis or treatment of degenerative brain disease containing the same as active ingredient Industry-University Cooperation Foundation Sogang University (KR) 2013-07-30 — — US disclosed
US-8497260-B2 2-arylbenzothiophene derivatives or pharmaceutically acceptable salts thereof, preparation method thereof, and pharmaceutical composition for the diagnosis or treatment of degenerative brain disease containing the same as active ingredient Industry-University Cooperation Foundation Sogang University (KR) 2013-07-30 — — US disclosed
US-8497260-B2 2-arylbenzothiophene derivatives or pharmaceutically acceptable salts thereof, preparation method thereof, and pharmaceutical composition for the diagnosis or treatment of degenerative brain disease containing the same as active ingredient Industry-University Cooperation Foundation Sogang University (KR) 2013-07-30 — — US disclosed
US-20110046378-A1 Novel Imaging Agents for Detecting Neurological Dysfunction SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2011-02-24 — — US disclosed
US-20110046378-A1 Novel Imaging Agents for Detecting Neurological Dysfunction SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2011-02-24 — — US disclosed
US-20100261727-A1 2-ARYLBENZOTHIOPHENE DERIVATIVES OR PHARCEUTICALLY ACCEPTABLE SALTS THEREOF, PREPARATION METHOD THEREOF, AND PHARCEUTICAL COMPOSITION FOR THE DIAGNOSIS OR TREATMENT OF DEGENERATIVE BRAIN DISEASE CONTAINING THE SAME AS ACTIVE INGREDIENT Industry-University Cooperation Foundation Sogang University 2010-10-14 — — US disclosed
US-20100261727-A1 2-ARYLBENZOTHIOPHENE DERIVATIVES OR PHARCEUTICALLY ACCEPTABLE SALTS THEREOF, PREPARATION METHOD THEREOF, AND PHARCEUTICAL COMPOSITION FOR THE DIAGNOSIS OR TREATMENT OF DEGENERATIVE BRAIN DISEASE CONTAINING THE SAME AS ACTIVE INGREDIENT Industry-University Cooperation Foundation Sogang University 2010-10-14 — — US disclosed
US-20100261727-A1 2-ARYLBENZOTHIOPHENE DERIVATIVES OR PHARCEUTICALLY ACCEPTABLE SALTS THEREOF, PREPARATION METHOD THEREOF, AND PHARCEUTICAL COMPOSITION FOR THE DIAGNOSIS OR TREATMENT OF DEGENERATIVE BRAIN DISEASE CONTAINING THE SAME AS ACTIVE INGREDIENT Industry-University Cooperation Foundation Sogang University 2010-10-14 — — 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-20110046378-A1 Novel Imaging Agents for Detecting Neurological Dysfunction FABP7, SLC18A3, TSPO ESR1 2563/4885ESR2 2656/4885APP 145/4885
US-20100261727-A1 2-ARYLBENZOTHIOPHENE DERIVATIVES OR PHARCEUTICALLY ACCEPTABLE SALTS THEREOF, PREPARATION METHOD THEREOF, AND PHARCEUTICAL COMPOSITION FOR THE DIAGNOSIS OR TREATMENT OF DEGENERATIVE BRAIN DISEASE CONTAINING THE SAME AS ACTIVE INGREDIENT APP, PSEN1, PSEN2 ESR1 3713/4885ESR2 1558/4885APP 1/4885

“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.

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