SCHEMBL432928

SCHEMBL432928

c1ccc2c(c1)OCc1nccn1-2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 7/20 0.43
GABRP O00591 6/20 0.43
GABRD O14764 6/20 0.43
GABRA1 P14867 6/20 0.43
GABRB1 P18505 6/20 0.43
GABRG2 P18507 6/20 0.43
GABRB3 P28472 6/20 0.43
GABRA5 P31644 6/20 0.43
GABRA3 P34903 6/20 0.43
GABRA2 P47869 6/20 0.43
GABRB2 P47870 6/20 0.43
GABRA4 P48169 6/20 0.43
GABRE P78334 6/20 0.43
GABRA6 Q16445 6/20 0.43
GABRG1 Q8N1C3 6/20 0.43
GABRG3 Q99928 6/20 0.43
GABRQ Q9UN88 6/20 0.43
THRB P10828 2/20 0.40
DAPK3 O43293 1/20 0.37
RET P07949 1/20 0.37

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
SCHEMBL30880231 0.78 MAPT (0.39) THRBHTR1ACYP2C9HTR1DHTR1B
SCHEMBL13377648 0.78 BLM (0.51) GABRG2GABRB3GABRA5THRBHTR1A
SCHEMBL87094 0.78 F10 (0.39) GRM5GABRPGABRDGABRA1GABRB1
SCHEMBL11367520 0.76 THRB (0.43) GRM5GABRPGABRDGABRA1GABRB1
SCHEMBL9068511 0.75 TP53 (0.35) THRBMAPTF10
SCHEMBL429806 0.74 F10 (0.39) GRM5GABRPGABRDGABRA1GABRB1
SCHEMBL13377663 0.74 KEAP1 (0.35) THRBHTR1ACYP2C9HTR1DHTR1B
SCHEMBL4019735 0.73 HPGD (0.34) GABRA1GABRA2GABRB2HTR1ASLC6A4
SCHEMBL8145288 0.72 GRM5 (0.43) GRM5GABRPGABRDGABRA1GABRB1
SCHEMBL432800 0.72 HTR1A (0.41) HTR1ACYP2C9HTR1DHTR1BSLC6A4

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-8575150-B2 Triazole derivatives for treatment of Alzheimer's disease MERCK SHARP & DOHME CORP. (US) 2013-11-05 US disclosed
US-20120022044-A1 TRIAZOLE DERIVATIVES FOR TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME LLC 2012-01-26 US disclosed
US-20110313001-A1 TRIAZOLE DERIVATIVES FOR TREATMENT OF ALZHEIMER'S DISEASE FISCHER CHRISTIAN (US) 2011-12-22 US disclosed
EP-2379075-A1 TRIAZOLE DERIVATIVES FOR TREATMENT OF ALZHEIMER'S DISEASE Merck Sharp & Dohme Corp. (US) 2011-10-26 EP disclosed
WO-2010077582-A1 TRIAZOLE DERIVATIVES FOR TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME CORP. (US) 2010-07-08 WO disclosed
US-20030055255-A1 Synthesis of substituted imidazoles MARCANTONIO KAREN (US) 2003-03-20 US disclosed
EP-1054889-A1 NEW OXAZOLIDINONES WITH AZOL-CONTAINING TRICYCLES Bayer Aktiengesellschaft (DE) 2000-11-29 EP disclosed
EP-1029854-A1 Oxazolidinones and their use as antibacterial agents BAYER AG (DE) 2000-08-23 EP disclosed
WO-1999040094-A1 AGENT FOR SEALING METALLIC GROUND COATS, ESPECIALLY GROUND COATS CONSISTING OF ZINC OR ZINC ALLOYS BAYER AKTIENGESELLSCHAFT (DE) 1999-08-12 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 (3 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-20110313001-A1 TRIAZOLE DERIVATIVES FOR TREATMENT OF ALZHEIMER'S DISEASE MAPT, BACE1, APP GRM5 556/4885GABRP 1697/4885GABRD 2330/4885
US-20120022044-A1 TRIAZOLE DERIVATIVES FOR TREATMENT OF ALZHEIMER'S DISEASE MAPT, BACE1, APP GRM5 911/4885GABRP 2345/4885GABRD 2531/4885
US-20030055255-A1 Synthesis of substituted imidazoles KARS1, TKT, AADAC GRM5 2559/4885GABRP 747/4885GABRD 1412/4885

“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.