SCHEMBL3000767

SCHEMBL3000767

CC1CCc2c(cc(-c3ccccc3)n2-c2nc(C(=O)O)cs2)C1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TP53 P04637 5/20 0.53
MAPT P10636 5/20 0.53
THRB P10828 1/20 0.52
LMNA P02545 2/20 0.50
LDHA P00338 5/20 0.44
PTGER1 P34995 9/20 0.44
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
AHR P35869 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
SCHEMBL17685060 0.85 MAPT (0.55) TP53MAPTTHRBLMNAAHR
SCHEMBL3325920 0.84 MAPT (0.46) TP53MAPTTHRBLMNAAHR
SCHEMBL17354603 0.82 MAPT (0.52) TP53MAPTTHRBLMNAAHR
SCHEMBL3325933 0.79 MAPT (0.60) TP53MAPTTHRBLMNAAHR
SCHEMBL3323549 0.77 MAPT (0.75) TP53MAPTTHRBLMNA
SCHEMBL3323176 0.76 MAPT (0.64) TP53MAPTTHRBLMNAAHR
SCHEMBL3325860 0.75 MAPT (0.60) TP53MAPTTHRBLMNAAHR
SCHEMBL17689834 0.74 PTGER1 (0.33) TP53MAPTTHRBLMNALDHA
SCHEMBL3322493 0.74 MAPT (0.59) TP53MAPTTHRBLMNALDHA
SCHEMBL2997463 0.74 ALDH1A1 (0.46) MAPTLMNALDHAPTGER1

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 40 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2970118-B1 COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS MANFREDI JOHN (US) 2018-09-12 EP claimed
EP-2813498-B1 Compounds for Alzheimer's disease MANFREDI JOHN (US) 2016-04-20 EP claimed
US-9216966-B2 Compounds for Alzheimer's disease Manfredi, John (US) 2015-12-22 US claimed
EP-2813498-A1 Compounds for Alzheimer's disease Manfredi, John (US) 2014-12-17 EP claimed
US-20130261118-A1 COMPOUNDS FOR ALZHEIMER'S DISEASE MANFREDI JOHN (US) 2013-10-03 US claimed
CN-101068781-B Compounds for alzheimer's disease MYRIAD GENETICS, INC. (US) 2012-02-01 CN claimed
EP-2970118-B1 COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS MANFREDI JOHN (US) 2018-09-12 EP disclosed
EP-2813498-B1 Compounds for Alzheimer's disease MANFREDI JOHN (US) 2016-04-20 EP disclosed
EP-2139472-B1 TETRAHYDROINDOLE DERIVATIVES AS NADPH OXIDASE INHIBITORS GENKYOTEX SA (CH) 2016-01-13 EP disclosed
US-9216966-B2 Compounds for Alzheimer's disease Manfredi, John (US) 2015-12-22 US disclosed
US-9216966-B2 Compounds for Alzheimer's disease Manfredi, John (US) 2015-12-22 US disclosed
US-9216966-B2 Compounds for Alzheimer's disease Manfredi, John (US) 2015-12-22 US disclosed
US-9034871-B2 Compounds for Alzheimer's disease Manfredi, John (US) 2015-05-19 US disclosed
US-7678823-B2 N-phenylindoles; oral dosage forms; side effect reduction Myriad Pharmaceticals, Inc. (US) 2010-03-16 US disclosed
EP-2139472-A1 TETRAHYDROINDOLE DERIVATIVES AS NADPH OXIDASE INHIBITORS GENKYO TEX SA (CH) 2010-01-06 EP disclosed
US-20080249135-A1 N-phenylindoles; oral dosage forms; side effect reduction MYRIAD GENETICS, INCORPORATED (US) 2008-10-09 US disclosed
US-20080249135-A1 N-phenylindoles; oral dosage forms; side effect reduction MYRIAD GENETICS, INCORPORATED (US) 2008-10-09 US disclosed
US-20080249135-A1 N-phenylindoles; oral dosage forms; side effect reduction MYRIAD GENETICS, INCORPORATED (US) 2008-10-09 US disclosed
WO-2008116926-A1 TETRAHYDROINDOLE DERIVATIVES AS NADPH OXIDASE INHIBITORS GENKYO TEX SA (CH) 2008-10-02 WO disclosed
WO-2007115306-A2 COMPOUNDS FOR DISEASES AND DISORDERS MYRIAD GENETICS, INC. (US) 2007-10-11 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 (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-20130261118-A1 COMPOUNDS FOR ALZHEIMER'S DISEASE SLC18A2, SLC18A3, NLN TP53 2751/4885MAPT 10/4885THRB 2651/4885
US-20080249135-A1 N-phenylindoles; oral dosage forms; side effect reduction NCL, PSEN2, CCNO TP53 306/4885MAPT 46/4885THRB 3789/4885

“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.