SCHEMBL7053225

SCHEMBL7053225

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPO P05164 2/20 0.55
KDM4E B2RXH2 7/20 0.44
ALDH1A1 P00352 6/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
MAPT P10636 5/20 0.44
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
LMNA P02545 4/20 0.43
GAA P10253 2/20 0.43
NPY2R P49146 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
HTT P42858 2/20 0.42
ADRB2 P07550 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
CASP3 P42574 1/20 0.40

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
SCHEMBL7055279 0.89 MPO (0.55) MPOKDM4EALDH1A1MEN1KMT2A
SCHEMBL3470444 0.85 KDM4E (0.58) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL22833819 0.83 MPO (0.55) MPOKDM4EALDH1A1MEN1KMT2A
SCHEMBL7053255 0.83 MPO (0.55) MPOKDM4EALDH1A1MEN1KMT2A
SCHEMBL4104105 0.81 KDM4E (0.65) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL7055907 0.81 LMNA (0.61) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL7056771 0.81 LMNA (0.45) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL22833837 0.81 LMNA (0.47) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL7057442 0.81 TRIM58 (0.48) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL6690822 0.80 L3MBTL1 (0.62) KDM4EALDH1A1KMT2AMAPTLMNA

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 MPO 2688/4885KDM4E 4560/4885ALDH1A1 390/4885
US-20030139431-A1 Guanidines which are agonist/antagonist ligands for neuropeptide FF (NPFF) receptors NPFFR1, NPFFR2, SSTR3 MPO 2916/4885KDM4E 3447/4885ALDH1A1 3738/4885

“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.