SCHEMBL628096

SCHEMBL628096

O=C(O)Cc1csc(-c2cc(F)cc(C(F)(F)F)c2)n1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
LMNA P02545 4/20 0.61
RXRA P19793 2/20 0.53
RXRB P28702 2/20 0.53
RXRG P48443 2/20 0.53
HTT P42858 1/20 0.49
ALDH1A1 P00352 4/20 0.49
GAA P10253 3/20 0.49
HPGD P15428 2/20 0.49
TP53 P04637 3/20 0.46
RHOC P08134 1/20 0.45
RHOA P61586 1/20 0.45
SHMT2 P34897 1/20 0.42
GABRA5 P31644 1/20 0.42
GABRB2 P47870 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL627651 0.92 LMNA (0.59) KDM4ESMN1; SMN2LMNARXRARXRB
SCHEMBL13148641 0.87 KDM4E (0.48) KDM4ESMN1; SMN2LMNARXRARXRB
SCHEMBL628748 0.86 LMNA (0.53) KDM4ESMN1; SMN2LMNAHTTALDH1A1
SCHEMBL628071 0.86 LMNA (0.53) KDM4ESMN1; SMN2LMNARXRARXRB
SCHEMBL629217 0.84 KDM4E (0.51) KDM4ESMN1; SMN2LMNARXRARXRB
SCHEMBL628106 0.83 KDM4E (0.62) KDM4ESMN1; SMN2LMNARXRARXRB
SCHEMBL10029575 0.82 KDM4E (0.67) KDM4ESMN1; SMN2LMNAALDH1A1GAA
SCHEMBL5025486 0.81 LMNA (0.72) KDM4ESMN1; SMN2LMNAHTTALDH1A1
SCHEMBL13148954 0.79 LMNA (0.47) KDM4ESMN1; SMN2LMNAHTTALDH1A1
SCHEMBL629535 0.79 LMNA (0.56) KDM4ESMN1; SMN2LMNAHTTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102459203-A Compositions and methods for modulating retinol binding to retinol binding protein 4(RBP4) IRM LLC 2012-05-16 CN disclosed
US-20120077854-A1 COMPOSITIONS AND METHODS FOR MODULATING RETINOL BINDING TO RETINOL BINDING PROTEIN 4 (RBP4) IRM LLC (BM) 2012-03-29 US disclosed
EP-2419412-A1 COMPOSITIONS AND METHODS FOR MODULATING RETINOL BINDING TO RETINOL BINDING PROTEIN 4 (RBP4) IRM LLC (BM) 2012-02-22 EP disclosed
WO-2010120741-A1 COMPOSITIONS AND METHODS FOR MODULATING RETINOL BINDING TO RETINOL BINDING PROTEIN 4 (RBP4) IRM LLC (US) 2010-10-21 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 (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-20120077854-A1 COMPOSITIONS AND METHODS FOR MODULATING RETINOL BINDING TO RETINOL BINDING PROTEIN 4 (RBP4) RBP4, RBP1, FABP4 KDM4E 751/4885SMN1; SMN2 3564/4885LMNA 1913/4885

“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.