SCHEMBL4049355

SCHEMBL4049355

Cc1ccc(-c2ccc(C(F)(F)F)cc2[N+](=O)[O-])nc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.51
ALDH1A1 P00352 4/20 0.48
KDM4E B2RXH2 1/20 0.48
MAPT P10636 6/20 0.46
GAA P10253 2/20 0.46
LMNA P02545 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
THRB P10828 1/20 0.42
HPGD P15428 2/20 0.41
CYP3A4 P08684 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
HIF1A Q16665 1/20 0.41
TXNRD1 Q16881 1/20 0.41
TXNRD3 Q86VQ6 1/20 0.41
TXNRD2 Q9NNW7 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MASP2 O00187 1/20 0.40

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
SCHEMBL29226886 0.84 TSHR (0.53) MAPK1ALDH1A1KDM4EMAPTLMNA
SCHEMBL30978368 0.84 TSHR (0.53) MAPK1ALDH1A1KDM4EMAPTLMNA
SCHEMBL4050250 0.81 MEN1 (0.41) MAPK1ALDH1A1KDM4EMAPTGAA
SCHEMBL4050751 0.79 MAPT (0.47) ALDH1A1KDM4EMAPTLMNASMN1; SMN2
SCHEMBL996550 0.75 ALDH1A1 (0.47) MAPK1ALDH1A1KDM4EMAPTGAA
SCHEMBL31511355 0.73 ALDH1A1 (0.50) MAPK1ALDH1A1KDM4EMAPTGAA
SCHEMBL19759816 0.72 MAPK1 (0.56) MAPK1ALDH1A1KDM4EMAPTGAA
SCHEMBL4416018 0.72 MAPK1 (0.57) MAPK1ALDH1A1KDM4EMAPTGAA
SCHEMBL24689583 0.71 CCR1 (0.64) ALDH1A1KDM4EMAPTSMN1; SMN2MEN1
SCHEMBL996621 0.71 GAA (0.49) MAPK1ALDH1A1KDM4EMAPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009111501-A1 DERIVATIVES OF IMIDAZO [4, 5-D] PYRIDAZINE AND THEIR USE AS ANTI-VIRAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2009-09-11 WO disclosed
US-20090226398-A1 ANTI-VIRAL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE GENELABS TECHNOLOGIES, INC. 2009-09-10 US 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-20090226398-A1 ANTI-VIRAL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE MAVS, SARS1, HAVCR2 MAPK1 3738/4885ALDH1A1 2203/4885KDM4E 3438/4885

“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.