SCHEMBL1466985

SCHEMBL1466985

CC(C)(C)Nc1ccc(C(=O)c2ccccc2C(=O)O)cc1[N+](=O)[O-]

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25B P30305 2/20 0.77
KDM4E B2RXH2 4/20 0.61
GLA P06280 2/20 0.61
HPSE Q9Y251 1/20 0.57
POLB P06746 4/20 0.55
HCAR3 P49019 6/20 0.54
LMNA P02545 1/20 0.53
BCL2L1 Q07817 1/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
CDC25A P30304 1/20 0.51
HSD17B10 Q99714 1/20 0.51
AKR1C3 P42330 2/20 0.48
AKR1C2 P52895 2/20 0.48
ALDH1A1 P00352 2/20 0.47
MAPT P10636 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NPC1 O15118 1/20 0.47
MAPK1 P28482 1/20 0.47
CASP3 P42574 1/20 0.47

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
SCHEMBL7376176 0.87 CDC25B (1.00) CDC25BKDM4EGLAHPSEPOLB
SCHEMBL6044103 0.84 HCAR3 (0.70) HCAR3MEN1KMT2AMAPT
SCHEMBL28566156 0.82 CDC25B (0.77) CDC25BKDM4EGLAHPSEPOLB
SCHEMBL1465906 0.81 CDC25B (0.73) CDC25BKDM4EGLAHPSEPOLB
SCHEMBL28559163 0.80 CDC25B (0.65) CDC25BKDM4EGLAHPSEPOLB
SCHEMBL28550092 0.80 CDC25B (0.72) CDC25BKDM4EGLAHPSEPOLB
SCHEMBL5216739 0.79 CDC25B (0.71) CDC25BKDM4EGLAHPSEPOLB
SCHEMBL28553748 0.79 CDC25B (0.70) CDC25BKDM4EGLAHPSEPOLB
SCHEMBL28564789 0.78 CDC25B (0.69) CDC25BKDM4EGLAHPSEPOLB
SCHEMBL1466999 0.78 CDC25B (0.69) CDC25BKDM4EGLAHPSEPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8697737-B2 Raf modulators and methods of use EXELIXIS, INC. (US) 2014-04-15 US disclosed
US-20110071145-A1 Raf Modulators And Methods Of Use EXELIXIS, INC. (US) 2011-03-24 US disclosed
US-7846959-B2 Raf modulators and methods of use EXELIXIS, INC. (US) 2010-12-07 US disclosed
US-20080009488-A1 Raf Modulators and Methods of Use EXELIXIS, INC. (US) 2008-01-10 US disclosed
EP-1751124-A2 RAF MODULATORS AND METHODS OF USE Exelixis, Inc. (US) 2007-02-14 EP disclosed
WO-2005112932-A2 RAF MODULATORS AND METHODS OF USE EXELIXIS, 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-20080009488-A1 Raf Modulators and Methods of Use BRAF, RAF1, ARAF CDC25B 317/4885KDM4E 1604/4885GLA 3097/4885
US-20110071145-A1 Raf Modulators And Methods Of Use BRAF, RAF1, ARAF CDC25B 205/4885KDM4E 1479/4885GLA 1719/4885

“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.