SCHEMBL8228846

SCHEMBL8228846

COc1ccc(F)cc1BO

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NFE2L2 Q16236 3/20 0.42
▸ KDM4E B2RXH2 2/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ ERN1 O75460 1/20 0.39
▸ PTGS1 P23219 1/20 0.39
▸ HTT P42858 3/20 0.38
▸ LMNA P02545 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ TSHR P16473 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ FFAR1 O14842 1/20 0.37
▸ FFAR4 Q5NUL3 1/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ USP2 O75604 1/20 0.36
▸ PDGFRB P09619 1/20 0.36

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
SCHEMBL21731047 0.84 KDM4E (0.39) NFE2L2KDM4ECYP1A2CYP3A4CYP2C19
SCHEMBL14500180 0.82 KDM4E (0.44) NFE2L2KDM4EPTGS1HTTLMNA
SCHEMBL13994417 0.77 NFE2L2 (0.40) NFE2L2KDM4EPTGS1HTTTSHR
SCHEMBL19936997 0.76 MEN1 (0.45) CYP1A2CYP2C19ERN1LMNAMEN1
SCHEMBL12268833 0.74 NFE2L2 (0.44) NFE2L2KDM4ECYP1A2CYP3A4CYP2C19
SCHEMBL16437067 0.74 FFAR1 (0.46) NFE2L2KDM4ECYP1A2CYP3A4CYP2C19
SCHEMBL12662425 0.74 CA1 (0.55) NFE2L2KDM4ECYP3A4PTGS1HTT
SCHEMBL2908313 0.73 PDE4A (0.50) KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL166380 0.73 NFE2L2 (0.61) NFE2L2KDM4ECYP1A2CYP3A4CYP2C19
SCHEMBL18472613 0.73 NFE2L2 (0.61) NFE2L2KDM4ECYP1A2CYP3A4CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3611174-B1 [1,2,4]TRIAZOLO[1,5-C]PYRIMIDINE DERIVATIVE AS A2A RECEPTOR INHIBITOR MEDSHINE DISCOVERY INC (CN) 2022-06-08 — — EP disclosed
US-20210371403-A1 SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS JNANA THERAPEUTICS INC. 2021-12-02 — — US disclosed
US-20210299070-A1 METHODS OF TREATING CREATINE TRANSPORTER DEFICIENCY JNANA THERAPEUTICS INC. 2021-09-30 — — US disclosed
WO-2020061473-A1 SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS JNANA THERAPEUTICS, INC. (US) 2020-03-26 — — WO disclosed
WO-2007123942-A2 BENZODIOXANE AND BENZODIOXOLANE DERIVATIVES AND USES THEREOF WYETH (US) 2007-11-01 — — 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-20210299070-A1 METHODS OF TREATING CREATINE TRANSPORTER DEFICIENCY SLC19A1, SLC1A5, SLC1A2 NFE2L2 4086/4885KDM4E 2932/4885CYP1A2 3915/4885
US-20210371403-A1 SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS SNRPE, G3BP1, G3BP2 NFE2L2 3821/4885KDM4E 4324/4885CYP1A2 4863/4885

“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.

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