SCHEMBL7059976

SCHEMBL7059976

CCCCCc1ccc2nc(Cl)cc(C)c2c1

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.68
CYP3A4 P08684 1/20 0.68
CYP2C19 P33261 1/20 0.68
HIF1A Q16665 1/20 0.68
PSMB5 P28074 2/20 0.43
TLR8 Q9NR97 9/20 0.42
SKP2 Q13309 1/20 0.41
MAPT P10636 1/20 0.40
DHODH Q02127 1/20 0.40
S1PR4 O95977 1/20 0.39
S1PR1 P21453 1/20 0.39
S1PR5 Q9H228 1/20 0.39
HSD11B1 P28845 1/20 0.38

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
SCHEMBL7051543 0.99 KDM4E (0.66) KDM4ECYP3A4CYP2C19HIF1APSMB5
SCHEMBL2540087 0.83 KDM4E (0.78) KDM4ECYP3A4CYP2C19HIF1AMAPT
SCHEMBL14286188 0.81 KDM4E (1.00) KDM4ECYP3A4CYP2C19HIF1AMAPT
SCHEMBL23674162 0.80 PSMB5 (0.53) KDM4ECYP3A4CYP2C19HIF1APSMB5
SCHEMBL2539722 0.78 KDM4E (0.76) KDM4ECYP3A4CYP2C19HIF1AMAPT
SCHEMBL2534945 0.78 CYP3A4 (0.76) KDM4ECYP3A4CYP2C19HIF1AMAPT
SCHEMBL2537741 0.76 CYP3A4 (0.71) KDM4ECYP3A4CYP2C19HIF1AMAPT
SCHEMBL30927819 0.75 SMN1; SMN2 (0.42) KDM4ECYP3A4HIF1ATLR8SKP2
SCHEMBL7056719 0.74 MAPT (0.41) KDM4ECYP3A4CYP2C19HIF1APSMB5
SCHEMBL9252885 0.73 MAPT (0.56) MAPT

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 4 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-2003026667-A1 QUINAZOLINO- AND QUINOLINO- GUANIDINES AS LIGANDS FOR THE NEUROP EPTIDE FF (NPFF) RECEPTORS SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2003-04-03 WO 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 4560/4885CYP3A4 4583/4885CYP2C19 4185/4885
US-20030139431-A1 Guanidines which are agonist/antagonist ligands for neuropeptide FF (NPFF) receptors NPFFR1, NPFFR2, SSTR3 KDM4E 3447/4885CYP3A4 3929/4885CYP2C19 4362/4885

“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.