SCHEMBL13946508

SCHEMBL13946508

NNC(=O)COc1ccc(N=O)cc1

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.59
▸ KDM4E B2RXH2 4/20 0.54
▸ LMNA P02545 1/20 0.54
▸ OGG1 O15527 2/20 0.47
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ SENP2 Q9HC62 1/20 0.41
▸ SENP1 Q9P0U3 1/20 0.41

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
SCHEMBL4422333 0.87 ALDH1A1 (0.73) ALDH1A1KDM4ELMNAOGG1MEN1
SCHEMBL15426830 0.82 ALDH1A1 (0.68) ALDH1A1KDM4ELMNAOGG1MEN1
SCHEMBL4413701 0.82 ALDH1A1 (0.67) ALDH1A1KDM4ELMNAOGG1MEN1
SCHEMBL13946509 0.80 ALDH1A1 (0.50) ALDH1A1KDM4EMEN1KMT2A
SCHEMBL1303739 0.79 ALDH1A1 (0.68) ALDH1A1KDM4ELMNAOGG1MEN1
SCHEMBL1713424 0.79 ALDH1A1 (0.63) ALDH1A1KDM4ELMNAMEN1KMT2A
SCHEMBL11872758 0.79 ALDH1A1 (0.63) ALDH1A1KDM4ELMNAOGG1MEN1
SCHEMBL2835832 0.79 ALDH1A1 (0.63) ALDH1A1KDM4ELMNAOGG1MEN1
SCHEMBL5434584 0.79 ALDH1A1 (0.63) ALDH1A1KDM4ELMNAMEN1KMT2A
SCHEMBL11547674 0.79 ALDH1A1 (0.63) ALDH1A1KDM4ELMNAOGG1MEN1

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-7491732-B2 Compositions and methods for inhibition of the JAK pathway RIGEL PHARMACEUTICALS, INC. (US) 2009-02-17 — — US disclosed
US-20090041786-A1 e.g. 5-Fluoro-N4-(3-hydroxyphenyl)-N2-[4-(N-methyl)aminosulfonyl-3-methoxyphenyl]-2,4-pyrimidinediamine; tyrosine (JAK) kinases inhibitor; interleukin and tumor necrosis factor ligand; transplant rejection; T-cell mediated autoimmune disease RIGEL PHARMACEUTICALS, INC. 2009-02-12 — — US disclosed
US-20080306099-A1 Prevent transplant rejection; autoimmune diseases RIGEL PHARMACEUTICALS, INC. 2008-12-11 — — 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 (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-20090041786-A1 e.g. 5-Fluoro-N4-(3-hydroxyphenyl)-N2-[4-(N-methyl)aminosulfonyl-3-methoxyphenyl]-2,4-pyrimidinediamine; tyrosine (JAK) kinases inhibitor; interleukin and tumor necrosis factor ligand; transplant rejection; T-cell mediated autoimmune disease JAK3, JAK1, JAK2 ALDH1A1 3574/4885KDM4E 508/4885LMNA 4714/4885
US-20080306099-A1 Prevent transplant rejection; autoimmune diseases JAK3, JAK1, JAK2 ALDH1A1 1981/4885KDM4E 1286/4885LMNA 4846/4885

“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.

Send feedback