SCHEMBL4079697

SCHEMBL4079697

O=C(O)CCCC(=O)NCc1cccc(Cl)c1

nearest known ligand 0.75

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.75
KMT2A Q03164 3/20 0.62
ALDH1A1 P00352 1/20 0.62
GAA P10253 1/20 0.61
TRPV1 Q8NER1 1/20 0.56
MEN1 O00255 1/20 0.55
LMNA P02545 1/20 0.55
TSHR P16473 1/20 0.55
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
KDM4E B2RXH2 1/20 0.53
TP53 P04637 2/20 0.53
NOS2 P35228 1/20 0.52
PLA2G1B P04054 1/20 0.52
HTT P42858 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
ATG4B Q9Y4P1 1/20 0.52

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
SCHEMBL4079701 0.94 SMN1; SMN2 (0.65) SMN1; SMN2KMT2AALDH1A1GAATRPV1
SCHEMBL11863114 0.87 SMN1; SMN2 (0.57) SMN1; SMN2KMT2AALDH1A1GAATRPV1
SCHEMBL6646248 0.85 HPGD (0.68) SMN1; SMN2KMT2AALDH1A1TRPV1NPC1
SCHEMBL17372428 0.83 KMT2A (0.58) SMN1; SMN2KMT2AALDH1A1NPC1RAB9A
SCHEMBL9208372 0.82 GAA (0.89) SMN1; SMN2KMT2AALDH1A1GAATRPV1
SCHEMBL4075831 0.82 GAA (0.61) SMN1; SMN2KMT2AGAATRPV1MEN1
SCHEMBL21183496 0.82 SMN1; SMN2 (0.52) SMN1; SMN2KMT2AALDH1A1GAATRPV1
SCHEMBL29594946 0.81 TRPV1 (0.72) SMN1; SMN2KMT2AALDH1A1GAATRPV1
SCHEMBL7368316 0.80 TP53 (0.53) SMN1; SMN2KMT2AMEN1NPC1RAB9A
SCHEMBL24499496 0.80 NPC1 (0.61) SMN1; SMN2KMT2AALDH1A1MEN1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1745010-B1 SUBSTITUTED CYCLOHEXYL-1,4-DIAMINE DERIVATIVES GRUENENTHAL GMBH (DE) 2009-08-05 EP claimed
US-20070112007-A1 Cyclohexyl-1, 4-diamine compounds GRUENENTHAL GMBH (DE) 2007-05-17 US claimed
US-20070112007-A1 Cyclohexyl-1, 4-diamine compounds GRUENENTHAL GMBH (DE) 2007-05-17 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-20070112007-A1 Cyclohexyl-1, 4-diamine compounds PKD1, DDC, DPYD SMN1; SMN2 1061/4885KMT2A 3604/4885ALDH1A1 158/4885

“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.