SCHEMBL7056239

SCHEMBL7056239

Cc1ccc(Oc2ccc3nc(NC(=N)N)nc(C)c3c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 12/20 0.50
ALDH1A1 P00352 6/20 0.48
KMT2A Q03164 5/20 0.48
MEN1 O00255 4/20 0.48
GAA P10253 1/20 0.47
MAPT P10636 9/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
HTT P42858 1/20 0.47
LMNA P02545 4/20 0.46
ALOX12 P18054 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
NPY2R P49146 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
BCHE P06276 3/20 0.43
ACHE P22303 3/20 0.43

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
SCHEMBL7055833 0.93 KDM4E (0.52) KDM4EALDH1A1KMT2AMEN1GAA
SCHEMBL4104105 0.86 KDM4E (0.65) KDM4EALDH1A1KMT2AMEN1GAA
SCHEMBL3470444 0.85 KDM4E (0.58) KDM4EALDH1A1KMT2AMEN1GAA
SCHEMBL7059961 0.81 KDM4E (0.49) KDM4EALDH1A1KMT2AMEN1GAA
SCHEMBL7052723 0.81 KDM4E (0.56) KDM4EALDH1A1KMT2AMEN1GAA
SCHEMBL22833819 0.80 MPO (0.55) KDM4EALDH1A1KMT2AMEN1GAA
SCHEMBL7054191 0.79 KDM4E (0.52) KDM4EALDH1A1KMT2AMEN1GAA
SCHEMBL7057876 0.79 KDM4E (0.54) KDM4EALDH1A1KMT2AMEN1GAA
SCHEMBL7053255 0.78 MPO (0.55) KDM4EALDH1A1KMT2AMEN1GAA
SCHEMBL7053225 0.78 MPO (0.55) KDM4EALDH1A1KMT2AMEN1GAA

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-20030176314-A1 Compounds for the treatment of pain H. LUNDBECK A/S (DK) 2003-09-18 US disclosed
US-20030139431-A1 Guanidines which are agonist/antagonist ligands for neuropeptide FF (NPFF) receptors H. LUNDBECK A/S (DK) 2003-07-24 US disclosed
WO-2003026657-A1 COMPOUNDS FOR THE TREATMENT OF PAIN SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2003-04-03 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 (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-20030176314-A1 Compounds for the treatment of pain NPFFR2, NPFFR1, OPRL1 KDM4E 4560/4885ALDH1A1 390/4885KMT2A 2310/4885
US-20030139431-A1 Guanidines which are agonist/antagonist ligands for neuropeptide FF (NPFF) receptors NPFFR1, NPFFR2, SSTR3 KDM4E 3447/4885ALDH1A1 3738/4885KMT2A 3563/4885

“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.