SCHEMBL10035972

SCHEMBL10035972

CCN1CCS/C1=C\C=C\C1=[N+](CC)CCS1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FURIN P09958 1/20 1.00
KDM4E B2RXH2 1/20 0.97
MEN1 O00255 1/20 0.97
NPC1 O15118 1/20 0.97
ALDH1A1 P00352 1/20 0.97
LMNA P02545 1/20 0.97
GAA P10253 1/20 0.97
MAPT P10636 1/20 0.97
NR2F2 P24468 1/20 0.97
HTT P42858 1/20 0.97
RAB9A P51151 1/20 0.97
RUNX1 Q01196 1/20 0.97
KMT2A Q03164 1/20 0.97
CBFB Q13951 1/20 0.97
SMN1; SMN2 Q16637 1/20 0.97
INMT O95050 1/20 0.32

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
SCHEMBL13416790 1.00 FURIN (1.00) FURINKDM4EMEN1NPC1ALDH1A1
SCHEMBL12611377 1.00 FURIN (1.00) FURINKDM4EMEN1NPC1ALDH1A1
Iodide SCHEMBL7704712 0.99 KDM4E (1.00) FURINKDM4EMEN1NPC1ALDH1A1
Iodide SCHEMBL7704714 0.99 KDM4E (1.00) FURINKDM4EMEN1NPC1ALDH1A1
SCHEMBL14116777 0.82 FURIN (0.70) FURINKDM4EMEN1NPC1ALDH1A1
SCHEMBL13416789 0.82 FURIN (0.70) FURINKDM4EMEN1NPC1ALDH1A1
SCHEMBL14465590 0.78 FURIN (0.64) FURINKDM4EMEN1NPC1ALDH1A1
SCHEMBL13416820 0.76 FURIN (0.61) FURINKDM4EMEN1NPC1ALDH1A1
SCHEMBL13416564 0.75 FURIN (0.60) FURINKDM4EMEN1NPC1ALDH1A1
SCHEMBL14184792 0.67 FURIN (0.50) FURINKDM4EMEN1NPC1ALDH1A1

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-20120035187-A1 ANTI-NEURODEGENERATIVE DISEASE AGENT KABUSHIKI KAISHA HAYASHIBARA SEIBUTSU KAGAKU KENKYUJO (JP) 2012-02-09 US disclosed
US-7285375-B2 Photosensitive composition, photosensitive lithography plate and method for producing lithography plate KONICA MINOLTA MEDICAL & GRAPHIC, INC. (JP) 2007-10-23 US disclosed
US-7169535-B2 Photosensitive composition and photosensitive lithographic printing plate KONICA MINOLTA HOLDINGS, INC. (JP) 2007-01-30 US 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-20120035187-A1 ANTI-NEURODEGENERATIVE DISEASE AGENT SNCA, PSEN1, CDR2 FURIN 3901/4885KDM4E 3242/4885MEN1 2218/4885

“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.