SCHEMBL7059007

SCHEMBL7059007

Cc1cc(Cl)nc2ccc(-c3ccccc3)cc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2C19 P33261 1/20 0.58
HIF1A Q16665 1/20 0.58
PSMB5 P28074 2/20 0.49
TRIM58 Q8NG06 1/20 0.46
LMNA P02545 3/20 0.46
ALDH1A1 P00352 3/20 0.44
MAPT P10636 2/20 0.44
DHODH Q02127 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
GAA P10253 1/20 0.42
MAP4K4 O95819 1/20 0.42
CYP1A2 P05177 1/20 0.42
TNKS2 Q9H2K2 1/20 0.41
EGFR P00533 1/20 0.41
BACE1 P56817 1/20 0.41
MEN1 O00255 1/20 0.41
HPGD P15428 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL20294440 0.85 CYP3A4 (0.50) KDM4ECYP3A4CYP2C19HIF1APSMB5
SCHEMBL3499138 0.82 NT5E (0.51) KDM4ETRIM58LMNAALDH1A1MAPT
SCHEMBL13312389 0.82 CYP1A2 (0.63) KDM4ECYP2C19PSMB5TRIM58LMNA
SCHEMBL28181895 0.81 PIK3CA (0.51) KDM4ETRIM58LMNAALDH1A1MAPT
SCHEMBL832589 0.80 CYP1A2 (0.64) KDM4ECYP3A4CYP2C19HIF1ALMNA
SCHEMBL10763478 0.79 PSMB5 (0.49) KDM4EPSMB5TRIM58ALDH1A1DHODH
SCHEMBL2538787 0.78 KDM4E (0.66) KDM4ECYP3A4CYP2C19HIF1ALMNA
SCHEMBL2538783 0.78 KDM4E (0.66) KDM4ECYP3A4CYP2C19HIF1AALDH1A1
SCHEMBL28385754 0.77 KDM4E (0.49) KDM4ECYP3A4CYP2C19HIF1AALDH1A1
SCHEMBL17734598 0.76 LMNA (0.54) KDM4ECYP3A4CYP2C19HIF1ALMNA

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 5 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
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
EP-0016978-B1 PROCESS FOR PREPARING NITRILES SCHERING AKTIENGESELLSCHAFT (DE) 1987-05-13 EP 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.