SCHEMBL9892496

SCHEMBL9892496

Cc1ccc(N=O)c(C(N)=O)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 7/20 0.45
ALDH1A1 P00352 6/20 0.45
KDM4E B2RXH2 3/20 0.45
RAB9A P51151 3/20 0.45
GAA P10253 3/20 0.45
USP2 O75604 1/20 0.45
PARP1 P09874 2/20 0.41
CSNK2A1 P68400 1/20 0.41
MAP2K2 P36507 1/20 0.38
MAP2K1 Q02750 1/20 0.38
HTT P42858 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
LMNA P02545 2/20 0.38
NPC1 O15118 4/20 0.37
MAPT P10636 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
PLAU P00749 1/20 0.37
MAPK1 P28482 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36

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
SCHEMBL9892495 0.82 CSNK2A1 (0.57) ALDH1A1KDM4EGAACSNK2A1SMN1; SMN2
SCHEMBL13952292 0.82 CSNK2A1 (0.42) HPGDALDH1A1KDM4ERAB9AGAA
SCHEMBL19889490 0.81 CSNK2A1 (0.41) HPGDALDH1A1KDM4ERAB9AGAA
SCHEMBL5264746 0.80 ALDH1A1 (0.39) HPGDALDH1A1KDM4ERAB9AGAA
SCHEMBL13081779 0.77 KEAP1 (0.44) HPGDALDH1A1KDM4EPARP1LMNA
SCHEMBL1003845 0.75 MEN1 (0.53) HPGDALDH1A1KDM4EPARP1CSNK2A1
SCHEMBL688411 0.74 MAPT (0.56) ALDH1A1KDM4EUSP2PARP1CSNK2A1
SCHEMBL1804788 0.74 PARP1 (0.45) HPGDALDH1A1KDM4ERAB9AGAA
SCHEMBL552239 0.74 CSNK2A1 (0.67) HPGDALDH1A1KDM4ERAB9APARP1
Hydrochloric Acid SCHEMBL28266821 0.74 MEN1 (0.52) HPGDALDH1A1KDM4EPARP1CSNK2A1

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-20120142692-A1 ANTIFOLATE COMBINATIONS CHELSEA THERAPEUTICS, INC. 2012-06-07 US disclosed
US-20090253719-A1 CRYSTALLINE SALT FORMS OF ANTIFOLATE COMPOUNDS AND METHODS OF MANUFACTURING THEREOF CHELSEA THERAPEUTICS, INC. 2009-10-08 US disclosed
CN-1377356-A Alkylene diamine substituted heterocycles NEUROGEN CORP (US) 2002-10-30 CN 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-20120142692-A1 ANTIFOLATE COMBINATIONS DHFR, MTX1, MTHFD1 HPGD 1121/4885ALDH1A1 316/4885KDM4E 1152/4885
US-20090253719-A1 CRYSTALLINE SALT FORMS OF ANTIFOLATE COMPOUNDS AND METHODS OF MANUFACTURING THEREOF SLC7A1, SLC10A1, SLC10A6 HPGD 1841/4885ALDH1A1 1572/4885KDM4E 2180/4885

“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.