SCHEMBL31710430

SCHEMBL31710430

C[Si](C)(C)CCOCn1c(Br)c(-c2cc(Cl)ccc2C#N)c2cccnc21

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.35
▸ SCN9A Q15858 2/20 0.33
▸ SLC40A1 Q9NP59 1/20 0.33
▸ PTGDR2 Q9Y5Y4 1/20 0.31
▸ ELANE P08246 2/20 0.31
▸ KDM4E B2RXH2 2/20 0.31
▸ MAPT P10636 2/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ CYP11B2 P19099 1/20 0.31
▸ PDE10A Q9Y233 1/20 0.30
▸ THRB P10828 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ TNKS O95271 1/20 0.30

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
SCHEMBL31710910 0.88 NPC1 (0.37) NPC1ELANERAB9A
SCHEMBL31710539 0.83 NPC1 (0.36) NPC1PTGDR2ELANEMAPT
SCHEMBL31710541 0.81 HTR6 (0.36) SCN9ASLC40A1ELANE
SCHEMBL31710526 0.80 EIF4EBP1 (0.33) SCN9A
SCHEMBL31710681 0.79 NPC1 (0.33) NPC1ELANE
SCHEMBL31710508 0.75 NPC1 (0.35) NPC1
SCHEMBL30405532 0.74 NPC1 (0.37) NPC1PTGDR2ELANEMAPT
SCHEMBL31710605 0.72 NPC1 (0.33) NPC1
SCHEMBL16781021 0.71 KDM4E (0.32) NPC1KDM4EMAPTTDP1ALDH1A1
SCHEMBL16781098 0.71 JAK2 (0.36) KDM4EMAPTTDP1ALDH1A1HPGD

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-20250326772-A1 MRGPRX2 ANTAGONISTS, PHARMACEUTICAL COMPOSITION INCLUDING MRGPRX2 ANTAGONIST, AND METHOD OF TREATING MRGPRX2-MEDIATED DISEASE OR DISORDER KYORIN SEIYAKU KK (JP) 2025-10-23 — — US disclosed
US-20250326773-A1 MRGPRX2 ANTAGONISTS, PHARMACEUTICAL COMPOSITION INCLUDING MRGPRX2 ANTAGONIST, AND METHOD OF TREATING MRGPRX2-MEDIATED DISEASE OR DISORDER KYORIN SEIYAKU KK (JP) 2025-10-23 — — 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 (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-20250326772-A1 MRGPRX2 ANTAGONISTS, PHARMACEUTICAL COMPOSITION INCLUDING MRGPRX2 ANTAGONIST, AND METHOD OF TREATING MRGPRX2-MEDIATED DISEASE OR DISORDER MRGPRX2, MRGPRX1, MRGPRX4 NPC1 54/4885SCN9A 535/4885SLC40A1 2312/4885
US-20250326773-A1 MRGPRX2 ANTAGONISTS, PHARMACEUTICAL COMPOSITION INCLUDING MRGPRX2 ANTAGONIST, AND METHOD OF TREATING MRGPRX2-MEDIATED DISEASE OR DISORDER MRGPRX2, MRGPRX1, MRGPRX4 NPC1 54/4885SCN9A 535/4885SLC40A1 2312/4885

“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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