SCHEMBL4130076

SCHEMBL4130076

CCOC(=O)c1nn(C)c(Oc2ccc(C)cc2)c1C=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.50
ALDH1A1 P00352 5/20 0.46
LMNA P02545 5/20 0.46
MAPT P10636 4/20 0.46
NPSR1 Q6W5P4 3/20 0.46
RAB9A P51151 3/20 0.43
NPC1 O15118 2/20 0.43
HTT P42858 2/20 0.43
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
PTGS2 P35354 1/20 0.40
ELANE P08246 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TARBP2 Q15633 1/20 0.39
KDM4E B2RXH2 2/20 0.39
GLA P06280 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 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
SCHEMBL2283931 0.84 ALDH1A1 (0.46) SMN1; SMN2ALDH1A1LMNAMAPTNPSR1
SCHEMBL2279331 0.82 ALDH1A1 (0.45) SMN1; SMN2ALDH1A1LMNAMAPTNPSR1
SCHEMBL4114744 0.80 ALDH1A1 (0.43) SMN1; SMN2ALDH1A1LMNAMAPTNPSR1
SCHEMBL12373440 0.76 SMN1; SMN2 (0.45) SMN1; SMN2ALDH1A1LMNAMAPTNPSR1
SCHEMBL3606852 0.75 USP2 (0.41) SMN1; SMN2ALDH1A1LMNAMAPTNPSR1
SCHEMBL3602437 0.74 MAOB (0.40) SMN1; SMN2ALDH1A1LMNAMAPTNPSR1
SCHEMBL3603478 0.73 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1LMNAMAPTNPSR1
SCHEMBL5766735 0.73 KDM4E (0.52) SMN1; SMN2MAPTMEN1KMT2AKDM4E
SCHEMBL2276349 0.73 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1LMNAMAPTRAB9A
SCHEMBL24553751 0.72 ELANE (0.39) SMN1; SMN2ALDH1A1LMNARAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1988081-B1 BINDING INHIBITOR OF SPHINGOSINE-1-PHOSPHATE TAISHO PHARMACEUTICAL CO LTD (JP) 2012-10-17 EP disclosed
US-7994204-B2 Binding inhibitor of sphingosine-1-phosphate TAISHO PHARMACEUTICAL CO., LTD (JP) 2011-08-09 US disclosed
US-7994204-B2 Binding inhibitor of sphingosine-1-phosphate TAISHO PHARMACEUTICAL CO., LTD (JP) 2011-08-09 US disclosed
US-20090182144-A1 BINDING INHIBITOR OF SPHINGOSINE-1-PHOSPHATE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2009-07-16 US disclosed
US-20090182144-A1 BINDING INHIBITOR OF SPHINGOSINE-1-PHOSPHATE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2009-07-16 US disclosed
US-20090182144-A1 BINDING INHIBITOR OF SPHINGOSINE-1-PHOSPHATE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2009-07-16 US disclosed
EP-1988081-A1 BINDING INHIBITOR OF SPHINGOSINE-1-PHOSPHATE TAISHO PHARMACEUTICAL CO., LTD (JP) 2008-11-05 EP disclosed
EP-1988081-A1 BINDING INHIBITOR OF SPHINGOSINE-1-PHOSPHATE TAISHO PHARMACEUTICAL CO., LTD (JP) 2008-11-05 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 (1 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-20090182144-A1 BINDING INHIBITOR OF SPHINGOSINE-1-PHOSPHATE S1PR1, S1PR3, S1PR2 SMN1; SMN2 3091/4885ALDH1A1 2969/4885LMNA 3437/4885

“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.