SCHEMBL4019634

SCHEMBL4019634

O=c1c2cccc(CBr)c2oc2c(CBr)cccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 2/20 0.48
STING1 Q86WV6 1/20 0.48
KDM4E B2RXH2 3/20 0.44
ATP1A1 P05023 2/20 0.43
ATP1B1 P05026 2/20 0.43
ATP1A3 P13637 2/20 0.43
ATP1B2 P14415 2/20 0.43
ATP1A2 P50993 2/20 0.43
ATP1B3 P54709 2/20 0.43
FXYD2 P54710 2/20 0.43
ATP1A4 Q13733 2/20 0.43
SLC11A2 P49281 1/20 0.42
CYP19A1 P11511 1/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
MAOA P21397 5/20 0.41
ALDH1A1 P00352 2/20 0.39
CYP3A4 P08684 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL9380185 0.90 GLA (0.51) GLASTING1KDM4EATP1A1ATP1B1
SCHEMBL8714340 0.88 KDM4E (0.59) GLAKDM4ECYP19A1CYP11B1CYP11B2
SCHEMBL4013917 0.87 SLC11A2 (0.52) GLASTING1KDM4ESLC11A2CYP3A4
SCHEMBL9160788 0.75 CYP1A2 (0.40) GLASTING1KDM4ECYP3A4MAPT
SCHEMBL7962346 0.74 ALOX5 (0.54) GLAKDM4ESLC11A2CYP19A1CYP11B1
SCHEMBL3691280 0.73 SLC11A2 (0.82) GLASTING1KDM4ESLC11A2ALDH1A1
SCHEMBL4166534 0.73 SLC11A2 (0.41) SLC11A2
SCHEMBL15678569 0.72 LOXL2 (0.50) GLASTING1KDM4EATP1A1ATP1B1
Bromide SCHEMBL4154083 0.72 SLC11A2 (0.80) GLASTING1KDM4EATP1A1ATP1B1
SCHEMBL9635576 0.72 CYP2D6 (0.38) CYP3A4LMNARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2061755-A1 TRICYCLIC COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2009-05-27 EP disclosed
US-20090069408-A1 TRICYCLIC COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2009-03-12 US disclosed
WO-2008109840-A1 TRICYCLIC COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2008-09-12 WO disclosed
EP-0278176-B1 Compounds having antitumour and antibacterial properties WARNER LAMBERT CO (US) 1994-03-09 EP disclosed
US-5281620-A Alkyl substituted xanthenone-4-acetic acid CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1994-01-25 US disclosed
EP-0278176-A2 Compounds having antitumour and antibacterial properties WARNER-LAMBERT COMPANY (US) 1988-08-17 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 (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-20090069408-A1 TRICYCLIC COMPOUNDS USEFUL IN TREATING IRON DISORDERS TFRC, SLC40A1, FECH GLA 2542/4885STING1 3841/4885KDM4E 2915/4885

“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.