SCHEMBL4136990

SCHEMBL4136990

O=[N+]([O-])c1ccc(-c2cccc(C(F)(F)F)c2)c([N+](=O)[O-])c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.51
SCN2A Q99250 1/20 0.51
ABCC8 Q09428 1/20 0.48
KCNJ11 Q14654 1/20 0.48
ABCG2 Q9UNQ0 7/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
KEAP1 Q14145 1/20 0.46
NFE2L2 Q16236 1/20 0.46
MPO P05164 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HIF1A Q16665 1/20 0.45
HSP90AA1 P07900 1/20 0.44
CXCR5 P32302 1/20 0.44
APLNR P35414 1/20 0.44
CCR6 P51684 1/20 0.44
PTGES O14684 1/20 0.44
AKR1C3 P42330 1/20 0.44
AKR1C2 P52895 1/20 0.44
TRPV1 Q8NER1 1/20 0.44

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
SCHEMBL29945248 0.87 ABCC8 (0.51) KIF11ABCC8KCNJ11ALDH1A1HIF1A
SCHEMBL8981842 0.84 ALDH1A1 (0.59) KIF11SCN2AALDH1A1HIF1APTGES
SCHEMBL28220649 0.80 SCN2A (0.64) KIF11SCN2AABCG2MEN1KMT2A
SCHEMBL27978520 0.79 KEAP1 (0.56) KIF11SCN2AABCG2MEN1KMT2A
SCHEMBL2963618 0.79 ALDH1A1 (0.56) MEN1KMT2AALDH1A1HIF1AAKR1C3
SCHEMBL2137404 0.78 ALDH1A1 (0.63) ALDH1A1HIF1AHSP90AA1LMNAMAPT
SCHEMBL29703748 0.78 TSHR (0.61) KIF11MEN1KMT2AKEAP1NFE2L2
SCHEMBL439710 0.78 TSHR (0.61) KIF11MEN1KMT2AKEAP1NFE2L2
SCHEMBL31398132 0.77 AKR1C3 (0.55) KIF11SCN2AABCG2KEAP1NFE2L2
Water SCHEMBL27408458 0.77 ALDH1A1 (0.61) ALDH1A1HIF1AHSP90AA1LMNAMAPT

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
US-20090170882-A1 Methods and compositions CYTOKINETICS, INCORPORATED 2009-07-02 US disclosed
US-20090170882-A1 Methods and compositions CYTOKINETICS, INCORPORATED 2009-07-02 US disclosed
EP-1771176-A2 METHODS AND COMPOSITIONS SMITHKLINE BEECHAM CORPORATION (US) 2007-04-11 EP disclosed
WO-2006005063-A2 METHODS AND COMPOSITIONS SMITHKLINE BEECHAM CORPORATION (US) 2006-01-12 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-20090170882-A1 Methods and compositions KIF5B, KIF5C, KIF2C KIF11 10/4885SCN2A 2756/4885ABCC8 2938/4885

“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.