SCHEMBL4628617

SCHEMBL4628617

Clc1cccc(C2O[C]=CO2)c1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 6/20 0.37
TAAR1 Q96RJ0 1/20 0.37
HTR2A P28223 2/20 0.37
HTR2C P28335 2/20 0.37
HTR2B P41595 2/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MCL1 Q07820 1/20 0.36
SLC6A2 P23975 4/20 0.35
GID4 Q8IVV7 1/20 0.35
IDO1 P14902 1/20 0.34
MAPT P10636 2/20 0.33
GAA P10253 1/20 0.33
KDM1A O60341 1/20 0.33
RCOR1 Q9UKL0 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL744929 0.79 KDM1A (0.41) HTR2AHTR2CHTR2BMEN1KMT2A
SCHEMBL1852085 0.77 MEN1 (0.39) MEN1KMT2AMAPTGAATSHR
SCHEMBL2469369 0.75 TAAR1 (0.42) SLC6A3TAAR1HTR2AHTR2CHTR2B
SCHEMBL15327483 0.74 TAAR1 (0.44) SLC6A3TAAR1HTR2AHTR2CHTR2B
SCHEMBL1673038 0.71
SCHEMBL5431657 0.69 TAAR1 (0.45) SLC6A3TAAR1HTR2AHTR2CHTR2B
SCHEMBL5427800 0.67 TAAR1 (0.42) SLC6A3TAAR1HTR2AHTR2CHTR2B
SCHEMBL25426892 0.66 SLC6A3 (0.49) SLC6A3TAAR1HTR2AHTR2CHTR2B
SCHEMBL11635017 0.64 TAAR1 (0.44) SLC6A3TAAR1HTR2AHTR2CHTR2B
SCHEMBL2080161 0.63 TSHR (0.54) SLC6A3TAAR1HTR2AHTR2CHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080188666-A1 LINEAR PHENYL-SUBSTITUTED INDAZOLES AND INDOLES, A PROCESS FOR THEIR PRODUCTION AND THEIR USE AS ANTI-INFLAMMATORY AGENTS ASTRAZENECA AB (SE) 2008-08-07 US claimed
WO-2008055710-A1 INDOLE AND INDAZOLE DERIVATIVES AS ANTI-INFLAMMATORY AGENTS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT 2008-05-15 WO claimed
WO-2008055709-A1 INDAZOLE AND INDOLE DERIVATIVES AS ANTI -INFLAMMATORY AGENTS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-05-15 WO claimed
EP-1921068-A1 Indazole and indole derivatives as anti-inflammatory agents Bayer Schering Pharma Aktiengesellschaft (DE) 2008-05-14 EP claimed
EP-1921067-A1 Indole and indazole derivatives as anti-inflammatory agents Bayer Schering Pharma Aktiengesellschaft (DE) 2008-05-14 EP claimed
US-20080188666-A1 LINEAR PHENYL-SUBSTITUTED INDAZOLES AND INDOLES, A PROCESS FOR THEIR PRODUCTION AND THEIR USE AS ANTI-INFLAMMATORY AGENTS ASTRAZENECA AB (SE) 2008-08-07 US disclosed
WO-2008055710-A1 INDOLE AND INDAZOLE DERIVATIVES AS ANTI-INFLAMMATORY AGENTS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT 2008-05-15 WO disclosed
WO-2008055709-A1 INDAZOLE AND INDOLE DERIVATIVES AS ANTI -INFLAMMATORY AGENTS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-05-15 WO disclosed
EP-1921068-A1 Indazole and indole derivatives as anti-inflammatory agents Bayer Schering Pharma Aktiengesellschaft (DE) 2008-05-14 EP disclosed
EP-1921067-A1 Indole and indazole derivatives as anti-inflammatory agents Bayer Schering Pharma Aktiengesellschaft (DE) 2008-05-14 EP 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-20080188666-A1 LINEAR PHENYL-SUBSTITUTED INDAZOLES AND INDOLES, A PROCESS FOR THEIR PRODUCTION AND THEIR USE AS ANTI-INFLAMMATORY AGENTS IDO1, IL1B, IDO2 SLC6A3 4144/4885TAAR1 3066/4885HTR2A 1222/4885

“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.