SCHEMBL431985

SCHEMBL431985

C=C(COCC(=C)c1ccccc1Br)c1ccccc1Br

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.38
KDM4E B2RXH2 2/20 0.38
HPGD P15428 4/20 0.37
RAB9A P51151 3/20 0.37
NPC1 O15118 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPT P10636 1/20 0.36
PTPN12 Q05209 1/20 0.35
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL28891561 0.77 F2R (0.41) ALDH1A1HPGDRAB9ANPC1HTT
SCHEMBL9252328 0.75 CES2 (0.45) ALDH1A1HPGDRAB9ANPC1HTT
SCHEMBL17868849 0.73 CYP3A4 (0.40) ALDH1A1KDM4EHPGDRAB9ANPC1
SCHEMBL8497069 0.72 NPC1 (0.41) ALDH1A1HPGDRAB9ANPC1SMN1; SMN2
SCHEMBL13369478 0.71 TAAR1 (0.38) ALDH1A1HPGDRAB9ANPC1HTT
SCHEMBL1812180 0.70 NPC1 (0.39) ALDH1A1HPGDRAB9ANPC1SMN1; SMN2
SCHEMBL5879283 0.69 KMT2A (0.39) ALDH1A1HPGDRAB9ANPC1HTT
SCHEMBL3752087 0.69 MAOA (0.50) ALDH1A1KDM4EHPGDSMN1; SMN2KMT2A
SCHEMBL31583030 0.69 NPC1 (0.41) ALDH1A1HPGDRAB9ANPC1L3MBTL1
SCHEMBL3445603 0.69 NPC1 (0.41) ALDH1A1HPGDRAB9ANPC1L3MBTL1

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-20120022056-A1 FUSED TRICYCLIC DERIVATIVES FOR THE TREATMENT OF PSYCHOTIC DISORDERS BENTLEY JONATHAN (IT) 2012-01-26 US disclosed
EP-1786822-A1 FUSED TRICYCLIC DERIVATIVES FOR THE TREATMENT OF PSYCHOTIC DISORDERS GLAXO GROUP LIMITED (GB) 2007-05-23 EP disclosed
WO-2006024517-A1 FUSED TRICYCLIC DERIVATIVES FOR THE TREATMENT OF PSYCHOTIC DISORDERS GLAXO GROUP LIMITED (GB) 2006-03-09 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-20120022056-A1 FUSED TRICYCLIC DERIVATIVES FOR THE TREATMENT OF PSYCHOTIC DISORDERS GABBR1, GABRQ, GABRE ALDH1A1 257/4885KDM4E 3168/4885HPGD 2664/4885

“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.