SCHEMBL7055833

SCHEMBL7055833

Cc1nc(NC(=N)N)nc2ccc(Oc3ccccc3)cc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.52
MAPT P10636 8/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
HTT P42858 2/20 0.52
ALDH1A1 P00352 4/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
GAA P10253 1/20 0.47
LMNA P02545 3/20 0.46
ALOX12 P18054 1/20 0.46
TDP1 Q9NUW8 2/20 0.43
EGLN1 Q9GZT9 2/20 0.42
BBOX1 O75936 1/20 0.42
THRA P10827 1/20 0.42
THRB P10828 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A3 Q01959 1/20 0.42
ASPH Q12797 1/20 0.42
KDM8 Q8N371 1/20 0.42

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
SCHEMBL7056239 0.93 KDM4E (0.50) KDM4EMAPTSMN1; SMN2HTTALDH1A1
SCHEMBL4104105 0.86 KDM4E (0.65) KDM4EMAPTSMN1; SMN2HTTALDH1A1
SCHEMBL7054191 0.83 KDM4E (0.52) KDM4EMAPTSMN1; SMN2HTTALDH1A1
SCHEMBL7059961 0.81 KDM4E (0.49) KDM4EMAPTSMN1; SMN2HTTALDH1A1
SCHEMBL7057442 0.81 TRIM58 (0.48) KDM4EMAPTSMN1; SMN2HTTALDH1A1
SCHEMBL7052723 0.81 KDM4E (0.56) KDM4EMAPTSMN1; SMN2HTTALDH1A1
SCHEMBL22833819 0.80 MPO (0.55) KDM4EMAPTSMN1; SMN2HTTALDH1A1
SCHEMBL3470444 0.80 KDM4E (0.58) KDM4EMAPTSMN1; SMN2HTTALDH1A1
SCHEMBL31457433 0.80 SMN1; SMN2 (0.54) KDM4EMAPTSMN1; SMN2HTTALDH1A1
SCHEMBL2330055 0.80 SMN1; SMN2 (0.54) KDM4EMAPTSMN1; SMN2HTTALDH1A1

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 4560/4885MAPT 2186/4885SMN1; SMN2 459/4885
US-20030139431-A1 Guanidines which are agonist/antagonist ligands for neuropeptide FF (NPFF) receptors NPFFR1, NPFFR2, SSTR3 KDM4E 3447/4885MAPT 4577/4885SMN1; SMN2 2329/4885

“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.