SCHEMBL6818652

SCHEMBL6818652

O=C(O)C(=NO)c1cc(Br)ccc1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.43
KDM4E B2RXH2 1/20 0.41
GLA P06280 1/20 0.41
CES2 O00748 2/20 0.39
HPGD P15428 2/20 0.39
GALR3 O60755 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
ALOX15 P16050 1/20 0.39
CASP1 P29466 1/20 0.39
CYP2C19 P33261 1/20 0.39
ALDH1A1 P00352 4/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KMT2A Q03164 2/20 0.38
GAA P10253 1/20 0.38
ANO1 Q5XXA6 1/20 0.37
MAPT P10636 3/20 0.37

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
SCHEMBL6818647 1.00 DGAT1 (0.43) DGAT1KDM4EGLACES2HPGD
SCHEMBL6817932 0.86 DGAT1 (0.56) DGAT1KDM4EGLACES2HPGD
SCHEMBL6817935 0.86 DGAT1 (0.56) DGAT1KDM4EGLACES2HPGD
Hydroxyamine SCHEMBL6819095 0.82 DGAT1 (0.56) DGAT1KDM4EGLACES2ALDH1A1
Hydroxyamine SCHEMBL6819113 0.82 DGAT1 (0.56) DGAT1KDM4EGLACES2ALDH1A1
SCHEMBL25407888 0.81 ALDH1A1 (0.44) CES2CASP1ALDH1A1SMN1; SMN2KMT2A
SCHEMBL25407892 0.81 ALDH1A1 (0.44) CES2CASP1ALDH1A1SMN1; SMN2KMT2A
SCHEMBL25407845 0.79 CSNK2A1 (0.42) GLACES2ALDH1A1NPC1RAB9A
SCHEMBL25407841 0.79 CSNK2A1 (0.42) GLACES2ALDH1A1NPC1RAB9A
SCHEMBL875504 0.78 ALDH1A1 (0.53) DGAT1KDM4EGLACES2HPGD

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-20040110802-A1 Antibacterial benzoic acid derivatives PHARMACIA & UPJOHN COMPANY 2004-06-10 US disclosed
WO-2004018428-A1 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-20040110802-A1 Antibacterial benzoic acid derivatives GABRD, GABBR1, GABRA1 DGAT1 2370/4885KDM4E 1240/4885GLA 1085/4885

“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.