SCHEMBL450120

SCHEMBL450120

N#Cc1cccc(NC(=O)CCc2ccc(OCCCCCc3ccccc3)cc2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.58
NR1H4 Q96RI1 1/20 0.55
MAPT P10636 2/20 0.55
GAA P10253 1/20 0.55
FFAR1 O14842 3/20 0.55
FFAR4 Q5NUL3 1/20 0.54
RAB9A P51151 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.52
HTT P42858 2/20 0.52
S1PR1 P21453 3/20 0.51
S1PR3 Q99500 1/20 0.51
S1PR5 Q9H228 1/20 0.51
BRD4 O60885 1/20 0.51
ITGB3 P05106 1/20 0.49
ITGA2B P08514 1/20 0.49
LTA4H P09960 1/20 0.49
MAPK1 P28482 1/20 0.49
HSD17B10 Q99714 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
ALDH1A1 P00352 1/20 0.49

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
SCHEMBL450128 0.87 FFAR1 (0.68) NR1H4MAPTGAAFFAR1HTT
SCHEMBL451124 0.86 MAPT (0.59) NR1H4MAPTGAAFFAR1RAB9A
SCHEMBL4657024 0.86 NR1H4 (0.74) LMNANR1H4MAPTGAAFFAR1
SCHEMBL987837 0.85 FFAR1 (0.60) NR1H4MAPTGAAFFAR1RAB9A
SCHEMBL450490 0.85 FFAR1 (0.52) NR1H4MAPTGAAFFAR1RAB9A
SCHEMBL449809 0.84 RAB9A (0.68) LMNANR1H4MAPTGAAFFAR1
SCHEMBL4658301 0.83 NR1H4 (0.64) LMNANR1H4MAPTGAAFFAR1
SCHEMBL450311 0.82 KMT2A (0.62) LMNANR1H4MAPTGAAFFAR1
SCHEMBL4657977 0.81 FFAR1 (0.57) NR1H4MAPTGAAFFAR1RAB9A
SCHEMBL4658325 0.81 FFAR1 (0.57) NR1H4MAPTGAAFFAR1RAB9A

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 LMNA 3842/4885NR1H4 276/4885MAPT 4757/4885
US-20080207584-A1 Compound Having S1P Receptor Binding Potency and Use Thereof S1PR1, EDNRA, S1PR3 LMNA 3904/4885NR1H4 249/4885MAPT 4767/4885

“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.