SCHEMBL31010389

SCHEMBL31010389

Cn1cc(I)c(C2CCCC2)n1

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CREBBP Q92793 2/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
NPY1R P25929 1/20 0.32
NPY2R P49146 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALPL P05186 1/20 0.31
CDK2 P24941 1/20 0.30
FLT3 P36888 1/20 0.30
CCNA1 P78396 1/20 0.30
MAP4K4 O95819 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
SCHEMBL31010220 0.96 KDM5B (0.33) LMNATSHRGAACDK2FLT3
SCHEMBL25027397 0.92 CDK2 (0.32) CDK2FLT3CCNA1
SCHEMBL31010206 0.77
SCHEMBL31010390 0.77
SCHEMBL3683211 0.76 EPHX2 (0.41) LMNATSHRGAASMN1; SMN2CREBBP
SCHEMBL15652085 0.73 MAP4K4 (0.35) LMNATSHRALDH1A1MAPTKDM4E
SCHEMBL31010299 0.72 RIPK1 (0.30)
SCHEMBL31626496 0.72 ALDH1A1 (0.37) LMNATSHRGAASMN1; SMN2CREBBP
SCHEMBL21854109 0.72 PROKR1 (0.40) LMNATSHRSMN1; SMN2MEN1ALDH1A1
SCHEMBL6910207 0.69 MAP4K4 (0.40) GAASMN1; SMN2CREBBPALDH1A1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240252473-A1 Sulfoximines as inhibitors of NaV1.8 GRUENENTHAL GMBH (DE) 2024-08-01 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 (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-20240252473-A1 Sulfoximines as inhibitors of NaV1.8 SCN8A, SCN10A, SCN7A LMNA 3870/4885TSHR 2615/4885GAA 2812/4885

“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.