SCHEMBL13577039

SCHEMBL13577039

CN(c1ccccc1OC(F)(F)F)S(=O)(=O)c1ccc(Cl)c(N)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.45
▸ ALPL P05186 1/20 0.45
▸ ALPI P09923 1/20 0.45
▸ ALPG P10696 1/20 0.45
▸ POLB P06746 2/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ NR1H3 Q13133 1/20 0.41
▸ LMNA P02545 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ MCOLN3 Q8TDD5 1/20 0.40
▸ OGT O15294 1/20 0.40
▸ MMP2 P08253 1/20 0.40
▸ MMP9 P14780 1/20 0.40
▸ HPGD P15428 1/20 0.39
▸ PSEN1 P49768 1/20 0.39
▸ PSEN2 P49810 1/20 0.39
▸ APH1B Q8WW43 1/20 0.39
▸ NCSTN Q92542 1/20 0.39
▸ APH1A Q96BI3 1/20 0.39
▸ PSENEN Q9NZ42 1/20 0.39

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
SCHEMBL10300184 0.85 KMT2A (0.59) KMT2AALPLALPIALPGPOLB
SCHEMBL10300185 0.81 C5AR1 (0.47) KMT2AALPLALPIALPGNR1H3
SCHEMBL10300187 0.80 PSEN1 (0.50) KMT2AALPLALPIALPGNR1H3
SCHEMBL13577042 0.79 HDAC3 (0.50) KMT2ARAB9ANR1H3SMN1; SMN2MMP2
SCHEMBL13577031 0.74 KMT2A (0.55) KMT2AALPLALPIALPGPOLB
SCHEMBL3106789 0.74 KMT2A (0.43) KMT2AALPLALPIALPGPOLB
SCHEMBL5467219 0.74 KDM4E (0.56) POLBRAB9ALMNASMN1; SMN2MCOLN3
SCHEMBL10300188 0.74 ESR1 (0.41) KMT2APOLBLMNASMN1; SMN2MCOLN3
SCHEMBL13577026 0.74 PSEN1 (0.56) NR1H3LMNASMN1; SMN2PSEN1PSEN2
SCHEMBL13577043 0.73 HPGD (0.50) KMT2AALPLALPIALPGPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9040693-B2 Fused heterocyclic derivative, medicinal composition containing the same, and medicinal use thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2015-05-26 — — US disclosed
US-9040693-B2 Fused heterocyclic derivative, medicinal composition containing the same, and medicinal use thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2015-05-26 — — US disclosed
US-20090325900-A1 FUSED HETEROCYCLIC DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, AND MEDICINAL USE THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2009-12-31 — — US disclosed
US-20090325900-A1 FUSED HETEROCYCLIC DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, AND MEDICINAL USE THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2009-12-31 — — 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-20090325900-A1 FUSED HETEROCYCLIC DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, AND MEDICINAL USE THEREOF SHBG, CYP19A1, NR5A1 KMT2A 1101/4885ALPL 1658/4885ALPI 869/4885

“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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