SCHEMBL10156261

SCHEMBL10156261

COc1c(Br)cc(CCCl)c2cccnc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 1/20 0.41
CASP6 P55212 1/20 0.41
KDM4E B2RXH2 7/20 0.40
HTT P42858 4/20 0.40
ALDH1A1 P00352 4/20 0.40
RAB9A P51151 3/20 0.40
TP53 P04637 3/20 0.40
MAPT P10636 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
LMNA P02545 3/20 0.40
TDP1 Q9NUW8 2/20 0.40
MAPK1 P28482 1/20 0.40
PAX8 Q06710 1/20 0.40
KLF5 Q13887 1/20 0.40
HSD17B10 Q99714 1/20 0.40
NPSR1 Q6W5P4 4/20 0.39
NPC1 O15118 2/20 0.39
ALOX12 P18054 2/20 0.39
NQO2 P16083 1/20 0.38
G6PD P11413 1/20 0.38

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
SCHEMBL10156259 0.86 KDM4E (0.43) NSD2CASP6KDM4EHTTALDH1A1
SCHEMBL15854520 0.85 KDM4E (0.35) NSD2CASP6KDM4EHTTALDH1A1
SCHEMBL10156189 0.84 KDM4E (0.39) NSD2CASP6KDM4EHTTRAB9A
SCHEMBL620812 0.79 KDM4E (0.57) NSD2CASP6KDM4EHTTALDH1A1
SCHEMBL10156362 0.79 KDM4E (0.62) KDM4EHTTALDH1A1RAB9ATP53
SCHEMBL12020186 0.79 CCR1 (0.50) NSD2CASP6KDM4EHTTALDH1A1
SCHEMBL13255403 0.77 CCR1 (0.51) NSD2CASP6KDM4EHTTALDH1A1
SCHEMBL10156364 0.76 COMT (0.34) KDM4EALDH1A1MAPTLMNATDP1
SCHEMBL10156263 0.75 PKM (0.43) KDM4EHTTALDH1A1RAB9ATP53
SCHEMBL15854519 0.74 KDM4E (0.39) KDM4EHTTALDH1A1RAB9ATP53

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-9034303-B2 Neuroprotective and neuro-restorative iron chelators and monoamine oxidase inhibitors and uses thereof ZURAWSKI JR VINCENT R (US) 2015-05-19 US disclosed
US-9034303-B2 Neuroprotective and neuro-restorative iron chelators and monoamine oxidase inhibitors and uses thereof ZURAWSKI JR VINCENT R (US) 2015-05-19 US disclosed
US-20140186280-A1 NEUROPROTECTIVE AND NEURO-RESTORATIVE IRON CHELATORS AND MONOAMINE OXIDASE INHIBITORS AND USES THEREOF VARINEL INC (US) 2014-07-03 US disclosed
US-20140186280-A1 NEUROPROTECTIVE AND NEURO-RESTORATIVE IRON CHELATORS AND MONOAMINE OXIDASE INHIBITORS AND USES THEREOF VARINEL INC (US) 2014-07-03 US disclosed
WO-2012020389-A1 NEUROPROTECTIVE AND NEURO-RESTORATIVE IRON CHELATORS AND MONOAMINE OXIDASE INHIBITORS AND USES THEREOF VARINEL INC (US) 2012-02-16 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-20140186280-A1 NEUROPROTECTIVE AND NEURO-RESTORATIVE IRON CHELATORS AND MONOAMINE OXIDASE INHIBITORS AND USES THEREOF MAOA, MAOB, FECH NSD2 3141/4885CASP6 245/4885KDM4E 183/4885

“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.