SCHEMBL22466022

SCHEMBL22466022

Oc1cc(-c2cnn(-c3ccccc3)c2)cc(F)c1F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.53
MAPT P10636 6/20 0.46
ALDH1A1 P00352 5/20 0.46
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
GRM4 Q14833 7/20 0.44
HPGD P15428 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
ALOX15 P16050 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C19 P33261 2/20 0.42
MAPK1 P28482 2/20 0.42
KDM4E B2RXH2 2/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
JAK2 O60674 1/20 0.42
TSHR P16473 1/20 0.42
ALOX12 P18054 1/20 0.42

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
SCHEMBL22466170 0.87 GAA (0.53) GAAMAPTALDH1A1KMT2AMEN1
SCHEMBL22465941 0.86 GRM4 (0.49) GAAMAPTALDH1A1KMT2AMEN1
SCHEMBL22466165 0.83 MAPT (0.48) GAAMAPTALDH1A1KMT2AMEN1
SCHEMBL22466121 0.81 GAA (0.46) GAAMAPTALDH1A1KMT2AMEN1
SCHEMBL22465924 0.78 ERN1 (0.63) GAA
SCHEMBL29377371 0.78 ERN1 (0.63) GAA
SCHEMBL22643036 0.75 GRM4 (0.52) GAAMAPTALDH1A1KMT2AMEN1
SCHEMBL515503 0.74 GAA (0.59) GAAMAPTALDH1A1KMT2AMEN1
SCHEMBL12235668 0.72 GRM4 (0.49) GAAMAPTALDH1A1NPC1RAB9A
SCHEMBL17736002 0.72 GAA (0.57) GAAMAPTNPC1RAB9AGRM4

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
CN-114025847-B Compounds and compositions as modulators of TLR signaling 神经孔疗法股份有限公司 2024-05-24 CN disclosed
US-20220298155-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF TLR SIGNALING NEUROPORE THERAPIES, INC. (US) 2022-09-22 US disclosed
US-11299487-B2 Compounds and compositions as modulators of TLR signaling NEUROPORE THERAPIES, INC. (US) 2022-04-12 US disclosed
EP-3946599-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF TLR SIGNALING Neuropore Therapies, Inc. (US) 2022-02-09 EP disclosed
CN-114025847-A Compounds and compositions as modulators of TLR signaling 神经孔疗法股份有限公司 2022-02-08 CN disclosed
WO-2020198368-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF TLR SIGNALING NEUROPORE THERAPIES, INC. (US) 2020-10-01 WO disclosed
WO-2020198368-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF TLR SIGNALING NEUROPORE THERAPIES, INC. (US) 2020-10-01 WO disclosed
US-20200308163-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF TLR SIGNALING NEUROPORE THERAPIES, INC. (US) 2020-10-01 US disclosed
US-20200308163-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF TLR SIGNALING NEUROPORE THERAPIES, INC. (US) 2020-10-01 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 (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-20220298155-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF TLR SIGNALING TLR3, TLR6, TLR4 GAA 295/4885MAPT 100/4885ALDH1A1 4634/4885
US-20200308163-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF TLR SIGNALING TLR3, TLR6, TLR4 GAA 295/4885MAPT 100/4885ALDH1A1 4634/4885
US-11299487-B2 Compounds and compositions as modulators of TLR signaling TLR3, TLR6, TLR4 GAA 485/4885MAPT 124/4885ALDH1A1 4515/4885

“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.