SCHEMBL10248786

SCHEMBL10248786

Fc1ccc(CC(F)(F)F)cc1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 4/20 0.48
LOXL2 Q9Y4K0 1/20 0.48
TAAR1 Q96RJ0 3/20 0.44
AGXT P21549 2/20 0.42
MAOB P27338 3/20 0.39
PLA2G1B P04054 1/20 0.38
ATG4B Q9Y4P1 1/20 0.38
MIF P14174 1/20 0.38
LMNA P02545 1/20 0.38
AOC3 Q16853 1/20 0.37
CHRM2 P08172 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
SCHEMBL7670360 0.88 ESR1 (0.38) IDO1LOXL2TAAR1MAOB
SCHEMBL10570 0.78 ALDH1A1 (0.52) LOXL2TAAR1MAOB
SCHEMBL4108567 0.76 CA1 (0.38)
SCHEMBL7191433 0.76 PANK3 (0.32)
SCHEMBL148198 0.76 TAAR1 (0.42) IDO1TAAR1
SCHEMBL25471464 0.76 TRPA1 (0.43)
SCHEMBL14392748 0.76 CYP3A4 (0.41) IDO1
SCHEMBL21507936 0.76 ESR1 (0.31)
SCHEMBL21875041 0.76 TRPV4 (0.34) IDO1
SCHEMBL462327 0.76 SLC6A4 (0.54) IDO1TAAR1AGXTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023094830-A1 SULFONAMIDE COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL CONDITIONS LARIO THERAPEUTICS LIMITED (GB) 2023-06-01 WO disclosed
US-20210252035-A1 SUBSTITUTED PURINE AND 7-DEAZAPURINE COMPOUNDS Epizyme, Inc. 2021-08-19 US disclosed
WO-2020243379-A1 SUBSTITUTED 1-OXO-ISOINDOLINE-5-CARBOXAMIDE COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH CELGENE CORPORATION (US) 2020-12-03 WO disclosed
WO-2018165520-A1 METALLOENZYME INHIBITOR COMPOUNDS VPS-3, INC. (US) 2018-09-13 WO disclosed
EP-2646444-B1 SUBSTITUTED PURINE AND 7-DEAZAPURINE COMPOUNDS AS MODULATORS OF EPIGENETIC ENZYMES EPIZYME INC (US) 2016-03-16 EP disclosed
US-20150366893-A1 SUBSTITUTED PURINE AND 7-DEAZAPURINE COMPOUNDS Epizyme, Inc. (US) 2015-12-24 US disclosed
US-20150366893-A1 SUBSTITUTED PURINE AND 7-DEAZAPURINE COMPOUNDS Epizyme, Inc. (US) 2015-12-24 US disclosed
US-9096634-B2 Substituted purine and 7-deazapurine compounds Epizyme, Inc. (US) 2015-08-04 US disclosed
US-9096634-B2 Substituted purine and 7-deazapurine compounds Epizyme, Inc. (US) 2015-08-04 US disclosed
WO-2014164844-A1 CATHEPSIN INHIBITORS VIROBAY, INC. (US) 2014-10-09 WO disclosed
US-20140051654-A1 Substituted Purine and 7-Deazapurine Compounds Epizyme, Inc. (US) 2014-02-20 US disclosed
US-8580762-B2 Substituted purine and 7-deazapurine compounds Epizyme, Inc. (US) 2013-11-12 US disclosed
US-8580762-B2 Substituted purine and 7-deazapurine compounds Epizyme, Inc. (US) 2013-11-12 US disclosed
US-20120142625-A1 Substituted Purine And 7-Deazapurine Compounds Epizyme, Inc. (US) 2012-06-07 US disclosed
US-20120142625-A1 Substituted Purine And 7-Deazapurine Compounds Epizyme, Inc. (US) 2012-06-07 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 (4 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-20210252035-A1 SUBSTITUTED PURINE AND 7-DEAZAPURINE COMPOUNDS TPMT, DIMT1, DAZAP1 IDO1 2182/4885LOXL2 3865/4885TAAR1 3025/4885
US-20150366893-A1 SUBSTITUTED PURINE AND 7-DEAZAPURINE COMPOUNDS TPMT, DIMT1, DAZAP1 IDO1 2182/4885LOXL2 3865/4885TAAR1 3025/4885
US-20140051654-A1 Substituted Purine and 7-Deazapurine Compounds TPMT, DIMT1, DAZAP1 IDO1 2182/4885LOXL2 3865/4885TAAR1 3025/4885
US-20120142625-A1 Substituted Purine And 7-Deazapurine Compounds TPMT, DIMT1, DAZAP1 IDO1 2182/4885LOXL2 3865/4885TAAR1 3025/4885

“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.