SCHEMBL206780

SCHEMBL206780

F/[C]=C\c1ccc(Br)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.42
ALDH1A1 P00352 3/20 0.35
HPGD P15428 2/20 0.35
RAB9A P51151 2/20 0.35
CYP2C19 P33261 2/20 0.35
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
ALOX15 P16050 2/20 0.33
MAPK1 P28482 1/20 0.33
LMNA P02545 2/20 0.32
MEN1 O00255 2/20 0.32
MAPT P10636 2/20 0.32
KMT2A Q03164 2/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
GAA P10253 1/20 0.32
PIM1 P11309 1/20 0.32
PIM2 Q9P1W9 1/20 0.32
CYP3A4 P08684 1/20 0.31

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
SCHEMBL3134885 0.76 HSD11B1 (0.44)
SCHEMBL208699 0.76 HSD11B1 (0.44)
SCHEMBL3134095 0.76 HSD11B1 (0.44)
SCHEMBL3126258 0.74 NFE2L2 (0.46) CYP2A6ALDH1A1RAB9AKDM4ENPC1
SCHEMBL3126253 0.74 NFE2L2 (0.46) CYP2A6ALDH1A1RAB9AKDM4ENPC1
SCHEMBL3126254 0.74 HSD17B10 (0.46) CYP2A6ALDH1A1NPC1LMNAMAPT
SCHEMBL3312812 0.74 CYP2A6 (0.42) CYP2A6ALDH1A1HPGDRAB9ACYP2C19
SCHEMBL3131905 0.74 NFE2L2 (0.46) CYP2A6ALDH1A1RAB9AKDM4ENPC1
SCHEMBL2906570 0.72
SCHEMBL208740 0.72

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-20090239857-A1 TRIAMINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-09-24 US claimed
EP-1864982-A1 TRIAMINE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-12-12 EP claimed
US-8088796-B2 Triamine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-01-03 US disclosed
US-20090239857-A1 TRIAMINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-09-24 US disclosed
EP-1864982-A1 TRIAMINE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-12-12 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-20090239857-A1 TRIAMINE DERIVATIVE F2, F12, F3 CYP2A6 246/4885ALDH1A1 1780/4885HPGD 924/4885

“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.