SCHEMBL4098357

SCHEMBL4098357

O=C(CC1CC1)NC1CC1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.72
HPGD P15428 2/20 0.72
EPHX1 P07099 1/20 0.72
SMN1; SMN2 Q16637 1/20 0.46
LMNA P02545 2/20 0.44
ALDH1A1 P00352 1/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
EPHX2 P34913 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
NCOR2 Q9Y618 1/20 0.39
MMP2 P08253 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
SCHEMBL22813414 0.91 EPHX1 (0.80) KMT2AHPGDEPHX1SMN1; SMN2LMNA
SCHEMBL13448395 0.86 KMT2A (0.56) KMT2AHPGDEPHX1SMN1; SMN2DRD2
SCHEMBL16437128 0.86 EPHX1 (0.96) KMT2AHPGDEPHX1SMN1; SMN2LMNA
SCHEMBL13484250 0.85 EPHX1 (0.60) KMT2AHPGDEPHX1SMN1; SMN2LMNA
SCHEMBL24490081 0.84 EPHX1 (1.00) KMT2AHPGDEPHX1SMN1; SMN2LMNA
SCHEMBL21442929 0.84 EPHX1 (1.00) KMT2AHPGDEPHX1SMN1; SMN2LMNA
SCHEMBL3655854 0.84 EPHX1 (1.00) KMT2AHPGDEPHX1SMN1; SMN2LMNA
SCHEMBL22055470 0.84 EPHX1 (1.00) KMT2AHPGDEPHX1SMN1; SMN2LMNA
SCHEMBL24574267 0.84 EPHX1 (1.00) KMT2AHPGDEPHX1SMN1; SMN2LMNA
SCHEMBL13360063 0.83 KMT2A (0.58) KMT2AHPGDEPHX1SMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090082367-A1 TRIAZOLE DERIVATIVE OR A SALT THEREOF ASTELLAS PHARMA INC. (JP) 2009-03-26 US disclosed
EP-1995243-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF Astellas Pharma Inc. (JP) 2008-11-26 EP 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-20090082367-A1 TRIAZOLE DERIVATIVE OR A SALT THEREOF HSD11B1, HSD11B2, HSD17B1 KMT2A 1938/4885HPGD 241/4885EPHX1 3770/4885

“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.