SCHEMBL4244703

SCHEMBL4244703

COC(=O)Nc1ccc(-c2n[nH]cc2C=O)cc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.45
MAPT P10636 2/20 0.40
HPGD P15428 1/20 0.40
ALDH1A1 P00352 3/20 0.36
LMNA P02545 2/20 0.36
RAB9A P51151 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 1/20 0.36
TNIK Q9UKE5 5/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
GFER P55789 1/20 0.36
NPC1 O15118 1/20 0.36
MEN1 O00255 1/20 0.36
PKM P14618 1/20 0.36
LIMK1 P53667 1/20 0.36
PTPN1 P18031 1/20 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
SCHEMBL22607800 0.80 ERN1 (0.54) SMN1; SMN2HPGDALDH1A1LMNARAB9A
SCHEMBL4244705 0.77 ALDH1A1 (0.41) SMN1; SMN2MAPTHPGDALDH1A1LMNA
SCHEMBL1336717 0.76 CDK4 (0.49) SMN1; SMN2MAPTALDH1A1LMNARAB9A
SCHEMBL4908543 0.76 ESR1 (0.41) SMN1; SMN2MAPTRAB9AKMT2ANPC1
SCHEMBL1335295 0.76 RAB9A (0.44) SMN1; SMN2MAPTHPGDALDH1A1LMNA
SCHEMBL7251623 0.73 SMN1; SMN2 (0.72) SMN1; SMN2MAPTHPGDALDH1A1LMNA
SCHEMBL4246815 0.72 PTGS2 (0.47) SMN1; SMN2ALDH1A1RAB9AKMT2ANPC1
SCHEMBL1335905 0.72 XDH (0.39) SMN1; SMN2MAPTALDH1A1LMNARAB9A
SCHEMBL1335198 0.72 PTGS2 (0.45) SMN1; SMN2MAPTHPGDALDH1A1LMNA
SCHEMBL9609808 0.71 SMN1; SMN2 (0.82) SMN1; SMN2MAPTHPGDALDH1A1LMNA

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-20090306039-A1 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IRM LLC (BM) 2009-12-10 US disclosed
EP-2057124-A2 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IRM, LLC (BM) 2009-05-13 EP disclosed
WO-2008011611-A2 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IRM LLC (BM) 2008-01-24 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-20090306039-A1 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IP6K1, IP6K2, IP6K3 SMN1; SMN2 3497/4885MAPT 3880/4885HPGD 3499/4885

“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.