SCHEMBL25994889

SCHEMBL25994889

O=C(Nc1ccc(OC(F)(F)P)cc1)N1CCCCC1

nearest known ligand 0.80

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 6/20 0.80
▸ SMN1; SMN2 Q16637 3/20 0.63
▸ KMT2A Q03164 4/20 0.60
▸ RAB9A P51151 5/20 0.56
▸ NPC1 O15118 4/20 0.56
▸ ALDH1A1 P00352 2/20 0.56
▸ MEN1 O00255 1/20 0.56
▸ CYP2C9 P11712 1/20 0.56
▸ CYP2C19 P33261 1/20 0.56
▸ MITF O75030 1/20 0.54
▸ ACHE P22303 1/20 0.53
▸ MAPT P10636 1/20 0.52
▸ TSHR P16473 1/20 0.52
▸ GAA P10253 1/20 0.51

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
SCHEMBL13873283 0.89 EPHX2 (1.00) EPHX2SMN1; SMN2KMT2ARAB9ANPC1
SCHEMBL25994389 0.86 EPHX2 (0.71) EPHX2SMN1; SMN2KMT2ARAB9ANPC1
SCHEMBL4558228 0.84 EPHX2 (0.91) EPHX2SMN1; SMN2CYP2C9CYP2C19ACHE
SCHEMBL14413342 0.81 SMN1; SMN2 (0.72) EPHX2SMN1; SMN2KMT2ARAB9ANPC1
SCHEMBL12668376 0.81 SMN1; SMN2 (0.77) EPHX2SMN1; SMN2KMT2ARAB9ANPC1
SCHEMBL5195426 0.78 SMN1; SMN2 (1.00) EPHX2SMN1; SMN2KMT2ARAB9ANPC1
SCHEMBL6153200 0.78 KMT2A (0.69) EPHX2SMN1; SMN2KMT2ARAB9ANPC1
SCHEMBL13873287 0.77 EPHX2 (0.77) EPHX2SMN1; SMN2CYP2C9CYP2C19ACHE
SCHEMBL2093466 0.76 EPHX2 (0.76) EPHX2SMN1; SMN2CYP2C9CYP2C19ACHE
SCHEMBL14306236 0.76 MAPT (0.69) EPHX2SMN1; SMN2KMT2ARAB9ANPC1

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-20230202974-A1 CASPASE 6 INHIBITORS AND USES THEREOF UNIV CALIFORNIA (US) 2023-06-29 — — 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-20230202974-A1 CASPASE 6 INHIBITORS AND USES THEREOF CASP6, CASP1, CASP10 EPHX2 3551/4885SMN1; SMN2 1519/4885KMT2A 4587/4885

“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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