SCHEMBL112675

SCHEMBL112675

O=C(O)c1cc(OCc2ccccc2)cc(COC2CCCCO2)n1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.46
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
MCL1 Q07820 4/20 0.43
CYP4F2 P78329 1/20 0.42
CYP4A11 Q02928 1/20 0.42
P4HTM Q9NXG6 1/20 0.41
CREBBP Q92793 2/20 0.40
EP300 Q09472 1/20 0.40
ICAM1 P05362 1/20 0.40
SELE P16581 1/20 0.40
NR4A2 P43354 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
FAAH O00519 4/20 0.38
MAOB P27338 1/20 0.38

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
SCHEMBL113509 0.89 MEN1 (0.42) KDM4CMEN1KMT2ACREBBPEP300
SCHEMBL3412288 0.85 KDM4C (0.44) KDM4CMEN1KMT2ACREBBPEP300
SCHEMBL112857 0.81 PTGER1 (0.41) KDM4CMEN1KMT2ACREBBPEP300
SCHEMBL5525521 0.78 KDM4C (0.40) KDM4CMEN1KMT2ACREBBPEP300
SCHEMBL961136 0.77 KDM4C (0.39) KDM4CMEN1KMT2ACREBBPEP300
SCHEMBL14452583 0.74 CREBBP (0.39) KDM4CMEN1KMT2ACREBBPEP300
SCHEMBL4184332 0.74 KDM4C (0.47) KDM4CMEN1KMT2ACREBBPEP300
SCHEMBL14278777 0.74 MEN1 (0.65) MEN1KMT2AMCL1P4HTMNR4A2
SCHEMBL7016133 0.74 CFTR (0.40) KDM4CMEN1KMT2ACYP4F2CYP4A11
SCHEMBL10465869 0.74 KDM4C (0.43) KDM4CMEN1KMT2ACREBBPEP300

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2424860-A1 HETEROARYLTHIOMETHYL PYRIDINE DERIVATIVE MSD K.K. (JP) 2012-03-07 EP disclosed
US-20120028970-A1 HETEROARYLTHIOMETHYL PYRIDINE DERIVATIVE MSD K.K. (JP) 2012-02-02 US disclosed
US-20110015181-A1 ALKYLAMINOPYRIDINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2011-01-20 US disclosed
EP-2264026-A1 ALKYLAMINOPYRIDINE DERIVATIVE Banyu Pharmaceutical Co., Ltd. (JP) 2010-12-22 EP disclosed
WO-2010126163-A1 HETEROARYLTHIOMETHYL PYRIDINE DERIVATIVE BANYU PHARMACEUTICAL CO.,LTD. (JP) 2010-11-04 WO 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 (2 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-20120028970-A1 HETEROARYLTHIOMETHYL PYRIDINE DERIVATIVE AR, NR5A1, ARL1 KDM4C 3056/4885MEN1 681/4885KMT2A 1493/4885
US-20110015181-A1 ALKYLAMINOPYRIDINE DERIVATIVE NPY4R, NPY1R, NPY2R KDM4C 3134/4885MEN1 1674/4885KMT2A 3144/4885

“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.