SCHEMBL1123461

SCHEMBL1123461

O=C(O)c1ccc(OCc2cccc(OCc3ccccc3)c2)cc1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 5/20 0.81
NR4A1 P22736 1/20 0.81
NR4A3 Q92570 1/20 0.81
SMN1; SMN2 Q16637 2/20 0.76
TSHR P16473 1/20 0.76
SRD5A2 P31213 2/20 0.74
RXRA P19793 2/20 0.71
RXRB P28702 2/20 0.71
RXRG P48443 2/20 0.71
PLA2G4B P0C869 1/20 0.70
FFAR1 O14842 1/20 0.68
MRGPRX4 Q96LA9 5/20 0.65
MEN1 O00255 1/20 0.64
KMT2A Q03164 1/20 0.64
PTPRC P08575 1/20 0.63
PTPN1 P18031 1/20 0.63
TP53 P04637 1/20 0.62
PKM P14618 1/20 0.62
NFKB1 P19838 1/20 0.62
RAB9A P51151 1/20 0.62

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
SCHEMBL228477 0.90 NR4A2 (1.00) NR4A2NR4A1NR4A3SMN1; SMN2SRD5A2
SCHEMBL6830467 0.90 NR4A2 (1.00) NR4A2NR4A1NR4A3SMN1; SMN2SRD5A2
SCHEMBL4059143 0.90 NR4A2 (1.00) NR4A2NR4A1NR4A3SMN1; SMN2SRD5A2
SCHEMBL1122713 0.89 NR4A2 (0.94) NR4A2NR4A1NR4A3SMN1; SMN2TSHR
SCHEMBL11603274 0.89 NR4A2 (0.96) NR4A2NR4A1NR4A3SMN1; SMN2SRD5A2
Hydrochloric Acid SCHEMBL8544438 0.89 NR4A2 (0.96) NR4A2NR4A1NR4A3SMN1; SMN2SRD5A2
SCHEMBL11273693 0.89 NR4A2 (0.96) NR4A2NR4A1NR4A3SMN1; SMN2SRD5A2
SCHEMBL11603952 0.89 NR4A2 (0.96) NR4A2NR4A1NR4A3SMN1; SMN2SRD5A2
SCHEMBL3649253 0.88 MRGPRX4 (0.76) NR4A2NR4A1NR4A3SMN1; SMN2TSHR
SCHEMBL1881853 0.88 NR4A2 (0.71) NR4A2NR4A1NR4A3SMN1; SMN2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9908849-B2 Imidamide sphingosine kinase inhibitors UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2018-03-06 US disclosed
US-20170166525-A1 IMIDAMIDE SPHINGOSINE KINASE INHIBITORS UNIVERSITY OF VIRGINIA 2017-06-15 US disclosed
US-9421177-B2 Imidamide sphingosine kinase inhibitors UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2016-08-23 US disclosed
US-20120214858-A1 IMIDAMIDE SPHINGOSINE KINASE INHIBITORS UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2012-08-23 US disclosed
WO-2011020116-A1 IMIDAMIDE SPHINGOSINE KINASE INHIBITORS UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2011-02-17 WO disclosed
EP-1644321-B1 NEW BENZAMIDES AS PPATY MODULATORS S A L V A T LAB SA (ES) 2011-02-09 EP disclosed
CN-1835914-A New benzamides as PPAR[upsilon] modulators S A L V A T LAB SA (ES) 2006-09-20 CN disclosed
US-20060160894-A1 Benzamides as ppar modulators LABORATORIOS S.A.L.V.A.T.,S.A. (ES) 2006-07-20 US disclosed
EP-1644321-A2 NEW BENZAMIDES AS PPATY MODULATORS LABORATORIOS S.A.L.V.A.T., S.A. (ES) 2006-04-12 EP disclosed
WO-2004110983-A2 NEW BENZAMIDES AS PPARϒ MODULATORS LABORATORIOS S.A.L.V.A.T., S.A. (ES) 2004-12-23 WO 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 (3 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-20060160894-A1 Benzamides as ppar modulators PPARD, PPARA, PPARG NR4A2 66/4885NR4A1 46/4885NR4A3 88/4885
US-20120214858-A1 IMIDAMIDE SPHINGOSINE KINASE INHIBITORS SPHK2, SPHK1, S1PR2 NR4A2 2540/4885NR4A1 3626/4885NR4A3 3073/4885
US-20170166525-A1 IMIDAMIDE SPHINGOSINE KINASE INHIBITORS SPHK2, SPHK1, S1PR2 NR4A2 2540/4885NR4A1 3626/4885NR4A3 3073/4885

“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.