Sugi Predict

Sugi Predict / Compounds / SCHEMBL3378733

SCHEMBL3378733

SCHEMBL3378733

CS(=O)(=O)N(CCN1CCCCC1)c1ccc(-c2ccc(Cl)c(F)c2)c(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ UTS2R Q9UKP6 1/20 0.37
▸ SIGMAR1 Q99720 5/20 0.37
▸ TP53 P04637 2/20 0.37
▸ CYP1A2 P05177 2/20 0.37
▸ CYP2D6 P10635 2/20 0.37
▸ TSHR P16473 2/20 0.37
▸ CCR2 P41597 1/20 0.37
▸ GRIN2D O15399 1/20 0.37
▸ GRIN3B O60391 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ GRIN1 Q05586 1/20 0.37
▸ GRIN2A Q12879 1/20 0.37
▸ GRIN2B Q13224 1/20 0.37
▸ GRIN2C Q14957 1/20 0.37
▸ GRIN3A Q8TCU5 1/20 0.37
▸ HRH3 Q9Y5N1 3/20 0.36

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
SCHEMBL3374457 0.92 KMT2A (0.44) KMT2AALDH1A1MAPTSIGMAR1CYP1A2
SCHEMBL3378404 0.90 KMT2A (0.41) KMT2AALDH1A1MAPTSIGMAR1CYP3A4
SCHEMBL3377097 0.80 LMNA (0.44) KMT2AALDH1A1MAPTGRIN1SMN1; SMN2
SCHEMBL13337348 0.76 ALDH1A1 (0.43) KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL3376534 0.76 SMN1; SMN2 (0.60) KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL3378900 0.72 ALDH1A1 (0.55) KMT2AALDH1A1MAPTTSHRSMN1; SMN2
SCHEMBL3376244 0.71 KEAP1 (0.40) KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL13337350 0.71 HDAC6 (0.38) KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL4931400 0.68 SIGMAR1 (0.48) KMT2AALDH1A1MEN1SIGMAR1CYP2D6
SCHEMBL14884812 0.68 TDP1 (0.42) KMT2AMEN1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8389500-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2013-03-05 — — US claimed
WO-2010056527-A2 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD PALO ALTO, INC. (US) 2010-05-20 — — WO claimed
US-20100113449-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD PALO ALTO, INC. (US) 2010-05-06 — — US claimed
US-8389500-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2013-03-05 — — US disclosed
WO-2010056527-A2 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD PALO ALTO, INC. (US) 2010-05-20 — — WO disclosed
US-20100113449-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD PALO ALTO, INC. (US) 2010-05-06 — — 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-20100113449-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNJ2, HCN4, KCNH2 KMT2A 3186/4885ALDH1A1 930/4885MEN1 1602/4885

“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.