SCHEMBL3645879

SCHEMBL3645879

COC(=O)c1ccc(C(C)N)nc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.57
KDM4E B2RXH2 3/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
S1PR4 O95977 1/20 0.46
S1PR3 Q99500 1/20 0.46
ALDH1A1 P00352 4/20 0.45
MAPT P10636 4/20 0.43
CA1 P00915 3/20 0.43
CA2 P00918 3/20 0.43
CA12 O43570 2/20 0.43
CA7 P43166 2/20 0.43
CA9 Q16790 2/20 0.43
CA14 Q9ULX7 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
KMT2A Q03164 1/20 0.43
LOXL2 Q9Y4K0 1/20 0.42
TSHR P16473 1/20 0.40
GLA P06280 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
SCHEMBL13418633 1.00 MAPK1 (0.57) MAPK1KDM4EL3MBTL1S1PR4S1PR3
SCHEMBL3645881 1.00 MAPK1 (0.57) MAPK1KDM4EL3MBTL1S1PR4S1PR3
Hydrochloric Acid SCHEMBL29893688 0.98 MAPK1 (0.56) MAPK1KDM4EL3MBTL1S1PR4S1PR3
Hydrochloric Acid SCHEMBL28240714 0.98 MAPK1 (0.56) MAPK1KDM4EL3MBTL1S1PR4S1PR3
Hydrochloric Acid SCHEMBL28240715 0.98 MAPK1 (0.56) MAPK1KDM4EL3MBTL1S1PR4S1PR3
SCHEMBL179293 0.86 MAPK1 (0.61) MAPK1KDM4EL3MBTL1S1PR4S1PR3
SCHEMBL796852 0.85 MAPK1 (0.59) MAPK1KDM4EL3MBTL1S1PR4S1PR3
SCHEMBL7419598 0.83 MAPK1 (0.57) MAPK1KDM4EL3MBTL1S1PR4S1PR3
SCHEMBL28230930 0.83 MAPK1 (0.57) MAPK1KDM4EL3MBTL1S1PR4S1PR3
SCHEMBL22060648 0.82 MAPK1 (0.60) MAPK1KDM4EL3MBTL1S1PR4S1PR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230286970-A1 NOVEL OXADIAZOLE-BASED SELECTIVE HDAC6 INHIBITORS ITALFARMACO SPA (IT) 2023-09-14 US disclosed
WO-2011119559-A1 NOVEL SPIRO IMIDAZOLONES AS GLUCAGON RECEPTOR ANTAGONISTS, COMPOSITIONS, AND METHODS FOR THEIR USE SCHERING CORPORATION (US) 2011-09-29 WO disclosed
EP-2195288-A2 SMALL MOLECULE BRADYKININ B1 RECEPTOR ANTAGONISTS Jerini AG (DE) 2010-06-16 EP disclosed
WO-2010039789-A1 SPIRO-IMIDAZOLONE DERIVATIVES AS GLUCAGON RECEPTOR ANTAGONISTS SCHERING CORPORATION (US) 2010-04-08 WO disclosed
WO-2009036996-A2 SMALL MOLECULE BRADYKININ B1 RECEPTOR ANTAGONISTS JERINI AG (DE) 2009-03-26 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-20230286970-A1 NOVEL OXADIAZOLE-BASED SELECTIVE HDAC6 INHIBITORS HDAC6, HDAC1, HDAC3 MAPK1 2380/4885KDM4E 562/4885L3MBTL1 1844/4885

“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.