SCHEMBL3374457

SCHEMBL3374457

CN1CCN(CCN(c2ccc(-c3ccc(Cl)c(F)c3)c(Cl)c2)S(C)(=O)=O)CC1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.44
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
CHKA P35790 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SIGMAR1 Q99720 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
TMEM97 Q5BJF2 1/20 0.34
RAB9A P51151 1/20 0.34
PTGS2 P35354 2/20 0.34
PTGS1 P23219 1/20 0.34
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33

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
SCHEMBL3378733 0.92 KMT2A (0.42) KMT2AALDH1A1MAPTSMN1; SMN2SIGMAR1
SCHEMBL3378404 0.90 KMT2A (0.41) KMT2AALDH1A1MAPTHDAC1HDAC6
SCHEMBL3377097 0.80 LMNA (0.44) KMT2AALDH1A1MAPTSMN1; SMN2RAB9A
SCHEMBL13337348 0.76 ALDH1A1 (0.43) KMT2AALDH1A1MAPTHDAC6SMN1; SMN2
SCHEMBL3376534 0.76 SMN1; SMN2 (0.60) KMT2AALDH1A1MAPTSMN1; SMN2RAB9A
SCHEMBL13337350 0.73 HDAC6 (0.38) KMT2AALDH1A1MAPTHDAC1HDAC6
SCHEMBL3378900 0.72 ALDH1A1 (0.55) KMT2AALDH1A1MAPTSMN1; SMN2RAB9A
SCHEMBL3376244 0.71 KEAP1 (0.40) KMT2AALDH1A1MAPTHDAC6SMN1; SMN2
SCHEMBL14884839 0.68 TDP1 (0.42) KMT2ASMN1; SMN2
SCHEMBL3378975 0.68 ALDH1A1 (0.63) KMT2AALDH1A1MAPTSMN1; SMN2RAB9A

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 930/4885MAPT 3407/4885

“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.