SCHEMBL8279092

SCHEMBL8279092

CC(=O)[C@@H](N)c1ccc(CN)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
LOXL2 Q9Y4K0 2/20 0.46
NOS3 P29474 2/20 0.44
NOS1 P29475 2/20 0.44
NOS2 P35228 2/20 0.44
ESR1 P03372 1/20 0.43
ESR2 Q92731 1/20 0.43
ABAT P80404 1/20 0.43
TPSAB1 Q15661 3/20 0.42
HDAC3 O15379 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
NCOR2 Q9Y618 1/20 0.42
PLG P00747 2/20 0.41
KLK1 P06870 2/20 0.41
KLK6 Q92876 2/20 0.41
HRH3 Q9Y5N1 1/20 0.41
BACE1 P56817 1/20 0.40
F2 P00734 1/20 0.40
PSIP1 O75475 1/20 0.39

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
SCHEMBL7040762 0.83 EPHX1 (0.43) KDM4ESMN1; SMN2LOXL2NOS3NOS1
SCHEMBL8495584 0.83 HSD17B10 (0.48) KDM4ESMN1; SMN2LOXL2ABATTPSAB1
SCHEMBL11845878 0.82 ABAT (0.41) KDM4ESMN1; SMN2LOXL2ABATTPSAB1
SCHEMBL5210395 0.80 ANPEP (0.51) KDM4EESR1ESR2F2ANPEP
SCHEMBL28292609 0.80 LOXL2 (0.43) KDM4ESMN1; SMN2LOXL2ABATTPSAB1
SCHEMBL26008561 0.79 SLC7A5 (0.50) KDM4ESMN1; SMN2LOXL2NOS3NOS1
SCHEMBL855255 0.77 LOXL2 (0.41) KDM4ESMN1; SMN2LOXL2ABATTPSAB1
SCHEMBL27300799 0.76 LOXL2 (0.41) KDM4ESMN1; SMN2LOXL2NOS3NOS1
Ammonia Solution, Strong SCHEMBL23885016 0.76 LOXL2 (0.40) KDM4ESMN1; SMN2LOXL2ABATTPSAB1
SCHEMBL8279353 0.76 ESR1 (0.52) KDM4EESR1ESR2

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
US-20090325962-A1 TYROSINE DERIVATIVE GENENTECH, INC. (US) 2009-12-31 US disclosed
US-20090325962-A1 TYROSINE DERIVATIVE GENENTECH, INC. (US) 2009-12-31 US disclosed
US-7595399-B2 Tyrosine derivatives GENENTECH, INC. (US) 2009-09-29 US disclosed
US-7595399-B2 Tyrosine derivatives GENENTECH, INC. (US) 2009-09-29 US disclosed
US-20080075719-A1 Method for Augmenting B Cell Depletion GENENTECH, INC. (US) 2008-03-27 US disclosed
US-20080075719-A1 Method for Augmenting B Cell Depletion GENENTECH, INC. (US) 2008-03-27 US disclosed
EP-1214292-B1 TYROSINE DERIVATIVES GENENTECH INC (US) 2007-06-13 EP disclosed
WO-2005113003-A2 METHOD FOR AUGMENTING B CELL DEPLETION GENENTECH, INC. (US) 2005-12-01 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 (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-20090325962-A1 TYROSINE DERIVATIVE VCAM1, ICAM1, ITGB4 KDM4E 227/4885SMN1; SMN2 4604/4885LOXL2 900/4885
US-20080075719-A1 Method for Augmenting B Cell Depletion CD22, ITGAM, FCGR3B KDM4E 2616/4885SMN1; SMN2 3548/4885LOXL2 1093/4885

“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.