SCHEMBL22809443

SCHEMBL22809443

O=C(NCCOc1ncc(C(F)(F)F)cc1Cl)c1cccnc1C(F)(F)F

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.58
MRGPRX4 Q96LA9 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
HDAC6 Q9UBN7 1/20 0.46
KMT2A Q03164 6/20 0.46
MEN1 O00255 5/20 0.46
ALDH1A1 P00352 2/20 0.44
LMNA P02545 2/20 0.44
HPGD P15428 1/20 0.43
PPARD Q03181 1/20 0.43
PPARG P37231 1/20 0.43
NR2E3 Q9Y5X4 1/20 0.43
NCOR2 Q9Y618 1/20 0.43
ATM Q13315 1/20 0.42
KDM4E B2RXH2 1/20 0.42
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
P2RX7 Q99572 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
SCHEMBL23954503 0.87 SCN9A (0.59) SCN9AMRGPRX4SMN1; SMN2KMT2AMEN1
SCHEMBL14982008 0.85 MRGPRX4 (0.53) MRGPRX4SMN1; SMN2HDAC6ALDH1A1HPGD
SCHEMBL1122733 0.84 GLA (0.54) HDAC6KMT2AMEN1ALDH1A1PPARD
SCHEMBL2712259 0.79 SCN9A (0.52) SCN9AMRGPRX4SMN1; SMN2KMT2AMEN1
SCHEMBL2710820 0.78 SCN9A (0.52) SCN9ASMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL30450684 0.75 SCN9A (0.82) SCN9AMRGPRX4SMN1; SMN2KMT2AALDH1A1
SCHEMBL22797745 0.75 SCN9A (0.82) SCN9AMRGPRX4SMN1; SMN2KMT2AALDH1A1
SCHEMBL2711416 0.75 MAPT (0.53) SCN9ASMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL15703037 0.75 NPC1 (0.47) SCN9ASMN1; SMN2ALDH1A1LMNAHPGD
SCHEMBL3945751 0.75 MRGPRX4 (0.49) SCN9AMRGPRX4SMN1; SMN2KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11154544-B2 Amide derivatives as Nav1.7 and Nav1.8 blockers RAQUALIA PHARMA INC. (JP) 2021-10-26 US disclosed
EP-3487839-B1 AMIDE DERIVATIVES AS NAV1.7 AND NAV1.8 BLOCKERS RAQUALIA PHARMA INC (JP) 2020-12-23 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-11154544-B2 Amide derivatives as Nav1.7 and Nav1.8 blockers SCN8A, SCN7A, SCN1A SCN9A 9/4885MRGPRX4 1780/4885SMN1; SMN2 443/4885

“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.