SCHEMBL7075846

SCHEMBL7075846

O=C(O)C(CBr)CCc1ccccn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRA P18433 1/20 0.51
SMN1; SMN2 Q16637 4/20 0.48
CYP1A2 P05177 3/20 0.48
CYP2C19 P33261 1/20 0.48
HRH1 P35367 1/20 0.43
RAB9A P51151 3/20 0.43
NPC1 O15118 2/20 0.43
SLC1A5 Q15758 1/20 0.43
LMNA P02545 2/20 0.42
TDP1 Q9NUW8 2/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
CYP3A4 P08684 1/20 0.41
TAS1R3 Q7RTX0 1/20 0.41
TAS1R1 Q7RTX1 1/20 0.41
FDPS P14324 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
SCHEMBL7205140 0.90 PTPRA (0.57) PTPRASMN1; SMN2CYP1A2CYP2C19HRH1
SCHEMBL8868140 0.85 SMN1; SMN2 (0.50) PTPRASMN1; SMN2CYP1A2CYP2C19HRH1
SCHEMBL7075416 0.82 PTPRA (0.59) PTPRASMN1; SMN2CYP1A2CYP2C19HRH1
SCHEMBL1857456 0.81 GRIK1 (0.54) PTPRASMN1; SMN2CYP1A2CYP2C19RAB9A
SCHEMBL1130371 0.78 PTPRA (0.54) PTPRASMN1; SMN2CYP1A2CYP2C19HRH1
SCHEMBL30428132 0.78 SLC1A5 (0.56) PTPRASMN1; SMN2CYP1A2CYP2C19HRH1
SCHEMBL1176394 0.78 SLC1A5 (0.56) PTPRASMN1; SMN2CYP1A2CYP2C19HRH1
SCHEMBL1768948 0.78 SLC1A5 (0.56) PTPRASMN1; SMN2CYP1A2CYP2C19HRH1
SCHEMBL10367159 0.76 PTPRA (0.53) PTPRASMN1; SMN2CYP1A2CYP2C19HRH1
SCHEMBL7613692 0.76 MMP3 (0.47)

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-20030207889-A1 Hydroxamic and carboxylic acid derivatives having MMP and TNF inhibitory activity OWEN DAVID ALAN (GB) 2003-11-06 US disclosed
US-6566384-B1 For therapy of cancer, inflammation and inflammatory diseases, tissue degeneration, periodontal disease, ophthalmological disease, dermatological disorders, fever, cardiovascular effects, haemorrhage, coagulation and acute phase response DARWIN DISCOVERY LTD. (GB) 2003-05-20 US disclosed
US-6118001-A ANTICANCER AGENT; ANTIARTHRITIC AGENT DARWIN DISCOVERY, LTD. (GB) 2000-09-12 US disclosed
EP-0968182-A1 HYDROXAMIC AND CARBOXYLIC ACID DERIVATIVES HAVING MMP AND TNF INHIBITORY ACTIVITY Darwin Discovery Limited (GB) 2000-01-05 EP disclosed
WO-1998005635-A1 HYDROXAMIC AND CARBOXYLIC ACID DERIVATIVES HAVING MMP AND TNF INHIBITORY ACTIVITY DARWIN DISCOVERY LIMITED (GB) 1998-02-12 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-20030207889-A1 Hydroxamic and carboxylic acid derivatives having MMP and TNF inhibitory activity MMP13, MMP2, MMP9 PTPRA 1958/4885SMN1; SMN2 3038/4885CYP1A2 2103/4885

“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.