SCHEMBL10156580

SCHEMBL10156580

CNCCc1cc(C)c(OC)c2ncccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 1/20 0.40
HTR2A P28223 1/20 0.39
KDM4E B2RXH2 4/20 0.38
ALOX12 P18054 4/20 0.38
HTT P42858 3/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
HSP90AA1 P07900 2/20 0.37
HSP90AB1 P08238 1/20 0.37
LMNA P02545 3/20 0.37
ALDH1A1 P00352 3/20 0.37
ALOX15 P16050 3/20 0.37
CCR1 P32246 1/20 0.37
CCR8 P51685 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
L3MBTL1 Q9Y468 4/20 0.36
KMT2A Q03164 2/20 0.36
MAPT P10636 2/20 0.36

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
SCHEMBL16716028 0.86 RAD52 (0.39) RAD52HTR2AKDM4EALOX12HTT
SCHEMBL10156577 0.75 MAOB (0.60) KDM4EALOX12HTTNPC1RAB9A
SCHEMBL13283111 0.74 CCR1 (0.45) RAD52KDM4EHTTNPC1HSP90AA1
SCHEMBL15703117 0.73 MEN1 (0.50) KDM4EHTTNPC1NPSR1HSP90AA1
SCHEMBL15703114 0.70 CCR1 (0.41) HTTNPC1RAB9AHSP90AA1ALDH1A1
SCHEMBL10156261 0.69 NSD2 (0.41) RAD52KDM4EALOX12HTTNPC1
SCHEMBL10156188 0.69 KDM4E (0.42) RAD52KDM4EALOX12HTTNPC1
SCHEMBL10156259 0.69 KDM4E (0.43) KDM4EALOX12HTTNPC1RAB9A
SCHEMBL10156189 0.69 KDM4E (0.39) RAD52KDM4EALOX12HTTNPC1
SCHEMBL23015583 0.68 RAD52 (0.49) RAD52KDM4EHTTNPC1RAB9A

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 4 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-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 RAD52 2498/4885HTR2A 107/4885KDM4E 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.