SCHEMBL447134

SCHEMBL447134

O=C(NCCc1ccc(OCCCCCc2ccccc2)cc1)c1cccc(C=NO)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
NPC1 O15118 6/20 0.54
RAB9A P51151 6/20 0.54
HTT P42858 1/20 0.53
MAPT P10636 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
NFKB1 P19838 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
NR1H4 Q96RI1 1/20 0.50
S1PR1 P21453 4/20 0.48
S1PR3 Q99500 2/20 0.48
S1PR5 Q9H228 1/20 0.48
HDAC3 O15379 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC10 Q969S8 1/20 0.48

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
SCHEMBL447133 1.00 MEN1 (0.55) MEN1KMT2ANPC1RAB9AHTT
SCHEMBL4658285 0.85 MEN1 (0.64) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL4658105 0.82 KDM5B (0.63) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL14544150 0.80 NPC1 (0.59) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL4657049 0.80 MEN1 (0.65) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL449653 0.79 MEN1 (0.64) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL4657235 0.79 MEN1 (0.63) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL453480 0.77 MEN1 (0.61) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL437736 0.77 NPC1 (0.64) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL4658045 0.77 KDM5B (0.60) MEN1KMT2ANPC1RAB9AHTT

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-8653305-B2 Compound having S1P receptor binding potency and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2014-02-18 US claimed
US-8653305-B2 Compound having S1P receptor binding potency and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2014-02-18 US disclosed
US-20120064060-A1 COMPOUND HAVING S1P RECEPTOR BINDING POTENCY AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2012-03-15 US disclosed
US-8039674-B2 Amino-substituted cyclic compound for EDG-1(endothelial differentiation gene) and/or EDG-6-mediated diseases; transplant rejection, autoimmune diseases, allergies, asthma, multiple organ failure, ischemia, reperfusion injury, lung or liver fibrosis; antitumor agents ONO PHARMACEUTICAL CO., LTD. (JP) 2011-10-18 US disclosed
US-20080207584-A1 Compound Having S1P Receptor Binding Potency and Use Thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2008-08-28 US disclosed
EP-1760071-A1 COMPOUND HAVING S1P RECEPTOR BINDING POTENCY AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2007-03-07 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 (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-20120064060-A1 COMPOUND HAVING S1P RECEPTOR BINDING POTENCY AND USE THEREOF S1PR1, S1PR3, EDNRA MEN1 1245/4885KMT2A 2641/4885NPC1 796/4885
US-20080207584-A1 Compound Having S1P Receptor Binding Potency and Use Thereof S1PR1, EDNRA, S1PR3 MEN1 1153/4885KMT2A 2410/4885NPC1 828/4885

“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.