SCHEMBL6707729

SCHEMBL6707729

N/C(=N\O)c1cc(Br)ccc1N

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 2/20 0.56
KDM4E B2RXH2 2/20 0.55
GLA P06280 1/20 0.55
MAPT P10636 4/20 0.49
POLB P06746 1/20 0.49
NPC1 O15118 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
GAA P10253 2/20 0.40
ALDH2 P05091 1/20 0.37
ALDH1A3 P47895 1/20 0.37
NOS1 P29475 2/20 0.36
DGAT1 O75907 1/20 0.36
CES2 O00748 1/20 0.35
GALR3 O60755 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
CASP1 P29466 1/20 0.35

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
SCHEMBL6707731 1.00 PLAU (0.56) PLAUKDM4EGLAMAPTPOLB
SCHEMBL29194851 0.82 KDM4E (0.53) PLAUKDM4EGLAMAPTPOLB
SCHEMBL24758108 0.82 KDM4E (0.53) PLAUKDM4EGLAMAPTPOLB
SCHEMBL2473975 0.78 GAA (0.42) PLAUMAPTPOLBNPC1GAA
SCHEMBL2473978 0.78 GAA (0.42) PLAUMAPTPOLBNPC1GAA
SCHEMBL2132506 0.78 DGAT1 (0.47) PLAUKDM4EGLAMAPTNPC1
SCHEMBL16026123 0.78 DGAT1 (0.47) PLAUKDM4EGLAMAPTNPC1
SCHEMBL16041813 0.78 DGAT1 (0.47) PLAUKDM4EGLAMAPTNPC1
SCHEMBL19554339 0.76 SMN1; SMN2 (0.57) KDM4EGLAMAPK1GAAHPGD
Methyl Alcohol SCHEMBL29017641 0.76 KDM4E (0.66) PLAUKDM4EGLAMAPTPOLB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040142981-A1 Antibacterial benzoic acid derivatives PHARMACIA & UPJOHN COMPANY 2004-07-22 US disclosed
WO-2004018461-A2 ANTIBACTERIAL BENZOIC ACID DERIVATIVES PHARMACIA & UPJOHN COMPANY LLC (US) 2004-03-04 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 (1 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-20040142981-A1 Antibacterial benzoic acid derivatives GABRD, PHB1, GABBR1 PLAU 3082/4885KDM4E 1582/4885GLA 1148/4885

“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.