SCHEMBL453369

SCHEMBL453369

C/C(=N\O)c1cccc(NC(=O)CCc2ccc(OCCCCCc3ccccc3)cc2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.59
ALDH1A1 P00352 3/20 0.56
HTT P42858 2/20 0.56
RAB9A P51151 2/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
HPGD P15428 1/20 0.56
MAPT P10636 2/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
LMNA P02545 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
GAA P10253 1/20 0.51
FFAR1 O14842 1/20 0.51
MDH1 P40925 2/20 0.51
POLB P06746 1/20 0.49
CNR2 P34972 2/20 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
SCHEMBL453370 1.00 NR1H4 (0.59) NR1H4ALDH1A1HTTRAB9ASMN1; SMN2
SCHEMBL449809 0.91 RAB9A (0.68) NR1H4ALDH1A1HTTRAB9ASMN1; SMN2
SCHEMBL4657024 0.89 NR1H4 (0.74) NR1H4ALDH1A1HTTRAB9ASMN1; SMN2
SCHEMBL4658301 0.86 NR1H4 (0.64) NR1H4ALDH1A1HTTRAB9ASMN1; SMN2
SCHEMBL450128 0.83 FFAR1 (0.68) NR1H4HTTMAPTCYP1A2CYP3A4
SCHEMBL451124 0.83 MAPT (0.59) NR1H4ALDH1A1HTTRAB9ASMN1; SMN2
SCHEMBL987837 0.82 FFAR1 (0.60) NR1H4ALDH1A1HTTRAB9ASMN1; SMN2
SCHEMBL949371 0.81 GAA (0.70) NR1H4ALDH1A1HTTSMN1; SMN2HPGD
SCHEMBL4658103 0.81 GAA (0.69) NR1H4ALDH1A1HTTRAB9ASMN1; SMN2
SCHEMBL4657996 0.81 ALDH1A1 (0.61) NR1H4ALDH1A1HTTRAB9ASMN1; SMN2

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 NR1H4 276/4885ALDH1A1 2245/4885HTT 4875/4885
US-20080207584-A1 Compound Having S1P Receptor Binding Potency and Use Thereof S1PR1, EDNRA, S1PR3 NR1H4 249/4885ALDH1A1 2082/4885HTT 4874/4885

“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.