SCHEMBL2034477

SCHEMBL2034477

O=C(c1ccc(=O)n(-c2c(F)cccc2F)c1)C(c1ccc(F)cc1F)N1C(=O)c2ccccc2C1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 4/20 0.36
MAPK12 P53778 4/20 0.36
MAPK11 Q15759 4/20 0.36
MAPK14 Q16539 4/20 0.36
HSD17B10 Q99714 1/20 0.33
MAPT P10636 1/20 0.33
LMNA P02545 1/20 0.33
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
ALDH1A1 P00352 1/20 0.32
ALOX15 P16050 1/20 0.32
OXTR P30559 5/20 0.31
CYP3A4 P08684 2/20 0.31
AVPR2 P30518 2/20 0.31
AVPR1A P37288 2/20 0.31
POLB P06746 1/20 0.31
CTDSP1 Q9GZU7 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
KCNH2 Q12809 1/20 0.31
NR3C2 P08235 1/20 0.30

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
SCHEMBL375156 0.81 MAPK14 (0.40) MAPK13MAPK12MAPK11MAPK14CES2
Hydrochloric Acid SCHEMBL2029284 0.80 MAPK13 (0.41) MAPK13MAPK12MAPK11MAPK14CES2
SCHEMBL2032961 0.71 MAPK13 (0.33) MAPK13MAPK12MAPK11MAPK14
SCHEMBL375778 0.70 MAPK14 (0.42) MAPK13MAPK12MAPK11MAPK14KCNH2
SCHEMBL5069128 0.69 MAPK13 (0.41) MAPK13MAPK12MAPK11MAPK14ALDH1A1
SCHEMBL375572 0.68 MDM2 (0.40) MAPK14NR3C2
SCHEMBL1504495 0.68 TTR (0.46) MAPK13MAPK12MAPK11MAPK14CYP3A4
SCHEMBL2029875 0.68 TRPV1 (0.32) MAPK13MAPK12MAPK11MAPK14
SCHEMBL2036069 0.68 MAPK13 (0.32) MAPK13MAPK12MAPK11MAPK14
SCHEMBL15663923 0.67 TNF (0.50) HSD17B10ALDH1A1CYP3A4POLBSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7968572-B2 Nitrogen-containing heterocyclic compound and pharmaceutical application thereof ONO PHARMACEUTICALS CO., LTD. (JP) 2011-06-28 US disclosed
US-20100063104-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND PHARMACEUTICAL APPLICATION THEREOF ONO PHARMACEUTICAL CO., LTD., (JP) 2010-03-11 US disclosed
EP-1932840-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND PHARMACEUTICAL APPLICATION THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2008-06-18 EP 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-20100063104-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND PHARMACEUTICAL APPLICATION THEREOF NOS2, NOS1, MAPK1 MAPK13 12/4885MAPK12 17/4885MAPK11 26/4885

“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.