SCHEMBL450515

SCHEMBL450515

O=C(CCc1ccc(OCCCCCc2ccccc2)cc1)NCc1ccccn1

nearest known ligand 0.73

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.73
ALOX15 P16050 1/20 0.73
TDP1 Q9NUW8 1/20 0.73
FFAR1 O14842 2/20 0.58
SMN1; SMN2 Q16637 1/20 0.56
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
ATM Q13315 1/20 0.55
POLB P06746 2/20 0.55
S1PR1 P21453 3/20 0.54
S1PR3 Q99500 1/20 0.54
S1PR5 Q9H228 1/20 0.54
HSD17B10 Q99714 1/20 0.53
LMNA P02545 1/20 0.52
MAPT P10636 1/20 0.52
GAA P10253 1/20 0.52
ALDH1A1 P00352 1/20 0.52
RAB9A P51151 1/20 0.51

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
SCHEMBL4067173 0.86 HPGD (1.00) HPGDALOX15TDP1SMN1; SMN2MEN1
SCHEMBL950975 0.81 FFAR1 (0.71) FFAR1S1PR1S1PR3S1PR5LMNA
SCHEMBL453010 0.80 FFAR1 (0.65) FFAR1KMT2AS1PR1S1PR3S1PR5
SCHEMBL4656968 0.80 S1PR1 (0.73) FFAR1S1PR1S1PR3S1PR5LMNA
SCHEMBL4657091 0.79 FFAR1 (0.71) FFAR1S1PR1S1PR3S1PR5LMNA
SCHEMBL9305442 0.79 HPGD (0.66) HPGDALOX15TDP1SMN1; SMN2MEN1
SCHEMBL4657037 0.78 FFAR1 (0.58) FFAR1S1PR1S1PR3S1PR5ALDH1A1
SCHEMBL450128 0.77 FFAR1 (0.68) FFAR1S1PR1S1PR3S1PR5MAPT
Hydrochloric Acid SCHEMBL4658333 0.77 FFAR1 (0.57) FFAR1S1PR1S1PR3S1PR5ALDH1A1
SCHEMBL4656572 0.76 FFAR1 (0.97) FFAR1S1PR1S1PR3S1PR5LMNA

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 7 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
US-7179817-B2 Carboxylic acid derivatives and drugs containing the same as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2007-02-20 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 (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 HPGD 657/4885ALOX15 866/4885TDP1 1376/4885
US-20080207584-A1 Compound Having S1P Receptor Binding Potency and Use Thereof S1PR1, EDNRA, S1PR3 HPGD 729/4885ALOX15 831/4885TDP1 1549/4885

“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.