SCHEMBL212114

SCHEMBL212114

O=C(O)c1cc(-c2cccc(F)c2)no1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 1/20 0.55
NR4A2 P43354 1/20 0.55
NR4A3 Q92570 1/20 0.55
MEN1 O00255 1/20 0.53
ALDH1A1 P00352 1/20 0.53
KMT2A Q03164 1/20 0.53
KMO O15229 2/20 0.52
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
PTPN1 P18031 5/20 0.48
EPHX2 P34913 1/20 0.47
HPGDS O60760 1/20 0.44
CSGALNACT1 Q8TDX6 1/20 0.44
PIN1 Q13526 1/20 0.43
MAOB P27338 1/20 0.43
GRM5 P41594 1/20 0.43
TP53 P04637 1/20 0.42
HCAR2 Q8TDS4 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
SCHEMBL11509604 0.89 RAB9A (0.57) MEN1ALDH1A1KMT2AKMORAB9A
SCHEMBL20507158 0.86 MEN1 (0.49) NR4A1NR4A2NR4A3MEN1ALDH1A1
SCHEMBL212382 0.83 RAB9A (0.68) MEN1ALDH1A1KMT2ARAB9ASMN1; SMN2
SCHEMBL15004515 0.82 MEN1 (0.55) MEN1ALDH1A1KMT2ARAB9ASMN1; SMN2
SCHEMBL212148 0.82 MEN1 (0.55) MEN1ALDH1A1KMT2AKMORAB9A
SCHEMBL214283 0.82 MEN1 (0.49) NR4A1NR4A2NR4A3MEN1ALDH1A1
SCHEMBL3101558 0.82 PTPN1 (0.64) MEN1ALDH1A1KMT2ARAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL8880218 0.82 RAB9A (0.66) MEN1ALDH1A1KMT2ARAB9ASMN1; SMN2
SCHEMBL614637 0.81 RAB9A (0.58) KMORAB9ASMN1; SMN2PTPN1TP53
SCHEMBL12171864 0.80 NR4A1 (0.50) NR4A1NR4A2NR4A3MEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080242671-A1 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2008-10-02 US claimed
US-8895582-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2014-11-25 US disclosed
US-8759374-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2014-06-24 US disclosed
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS QIAN XIANGPING (US) 2013-02-28 US disclosed
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS QIAN XIANGPING (US) 2012-05-31 US disclosed
US-8088793-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2012-01-03 US disclosed
CN-101821279-A Certain chemical entities, compositions, and methods CYTOKINETICS INC 2010-09-01 CN disclosed
EP-2195328-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Incorporated (US) 2010-06-16 EP disclosed
US-20090275537-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2009-11-05 US disclosed
WO-2009023193-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INCORPORATED (US) 2009-02-19 WO disclosed
US-20080242671-A1 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2008-10-02 US disclosed
US-7384970-B2 Inhibitors of cathepsin S IRM LLC (BM) 2008-06-10 US disclosed
US-20040248887-A1 Inhibitors of cathepsin S IRM LLC (BM) 2004-12-09 US disclosed
WO-2004084843-A2 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2004-10-07 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 (5 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-20090275537-A1 Certain chemical entities, compositions, and methods MYLK, MYH2, MYH10 NR4A1 1993/4885NR4A2 2443/4885NR4A3 2077/4885
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 NR4A1 1993/4885NR4A2 2443/4885NR4A3 2077/4885
US-20040248887-A1 Inhibitors of cathepsin S CTSS, CTSB, CTSZ NR4A1 4520/4885NR4A2 3951/4885NR4A3 3958/4885
US-20080242671-A1 INHIBITORS OF CATHEPSIN S CTSS, CTSB, CTSZ NR4A1 4520/4885NR4A2 3951/4885NR4A3 3958/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 NR4A1 1993/4885NR4A2 2443/4885NR4A3 2077/4885

“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.