SCHEMBL20257528

SCHEMBL20257528

Cc1cccc(Cc2cccc(F)c2)c1F

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.49
IDH1 O75874 1/20 0.44
SCN8A Q9UQD0 1/20 0.43
IDO1 P14902 2/20 0.43
AGXT P21549 2/20 0.43
MPO P05164 2/20 0.43
PDE3B Q13370 1/20 0.43
PDE3A Q14432 1/20 0.43
ACHE P22303 1/20 0.42
DAO P14920 1/20 0.41
SIGMAR1 Q99720 1/20 0.40
MIF P14174 1/20 0.40
ADCY10 Q96PN6 1/20 0.39

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
SCHEMBL16191018 0.87 TAAR1 (0.50) TAAR1IDH1SCN8AIDO1AGXT
SCHEMBL21929338 0.86 ACHE (0.53) TAAR1IDH1IDO1AGXTMPO
SCHEMBL13545700 0.82 CALM1 (0.44) MPOACHE
SCHEMBL23315341 0.79 MPO (0.44) IDO1AGXTMPOACHE
SCHEMBL3300303 0.77 TAAR1 (0.60) TAAR1IDH1IDO1AGXTDAO
SCHEMBL2091696 0.77 TAAR1 (0.52) TAAR1IDO1AGXTMPOPDE3B
SCHEMBL16191821 0.76 TAAR1 (0.52) TAAR1SCN8AIDO1AGXTMPO
SCHEMBL27201231 0.76 ALDH1A1 (0.56) TAAR1IDH1SCN8AIDO1AGXT
SCHEMBL8007700 0.76 TAAR1 (0.50) TAAR1IDH1IDO1AGXTACHE
SCHEMBL15280152 0.75 ACHE (0.48) TAAR1IDH1IDO1AGXTMPO

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-20230345825-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2023-10-26 US disclosed
US-20230337521-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2023-10-19 US disclosed
US-11117899-B2 [1,2,4]triazolo[1,5-c]pyrimidine derivative as A2A receptor inhibitor MEDSHINE DISCOVERY INC. (CN) 2021-09-14 US disclosed
WO-2021163493-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING CALCIUM ION HOMEOSTASIS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-08-19 WO disclosed
US-11066411-B2 2021-07-20 US disclosed
US-20200131184-A1 [1,2,4]TRIAZOLO[1,5-C]PYRIMIDINE DERIVATIVE AS A2A RECEPTOR INHIBITOR MEDSHINE DISCOVERY INC. (CN) 2020-04-30 US disclosed
US-10227362-B2 Anti-pulmonary tuberculosis nitroimidazole derivative MEDSHINE DISCOVERY INC. (CN) 2019-03-12 US disclosed
US-20180162878-A1 ANTI-PULMONARY TUBERCULOSIS NITROIMIDAZOLE DERIVATIVE MEDSHINE DISCOVERY INC. (CN) 2018-06-14 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 (6 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-20180162878-A1 ANTI-PULMONARY TUBERCULOSIS NITROIMIDAZOLE DERIVATIVE NDUFV1, NDUFV2, MT-ND4 TAAR1 3581/4885IDH1 284/4885SCN8A 4225/4885
US-11117899-B2 [1,2,4]triazolo[1,5-c]pyrimidine derivative as A2A receptor inhibitor ADORA2A, ADORA1, ADORA3 TAAR1 43/4885IDH1 4194/4885SCN8A 1159/4885
US-20230337521-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES OCIAD1, OCIAD2, NR1H2 TAAR1 1508/4885IDH1 3219/4885SCN8A 2453/4885
US-11066411-B2 ADORA2A, ADORA1, ADORA2B TAAR1 47/4885IDH1 3801/4885SCN8A 711/4885
US-20200131184-A1 [1,2,4]TRIAZOLO[1,5-C]PYRIMIDINE DERIVATIVE AS A2A RECEPTOR INHIBITOR ADORA2A, ADORA1, ADORA3 TAAR1 43/4885IDH1 4194/4885SCN8A 1159/4885
US-10227362-B2 Anti-pulmonary tuberculosis nitroimidazole derivative NDUFV1, NDUFV2, MT-ND4 TAAR1 3581/4885IDH1 284/4885SCN8A 4225/4885

“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.