SCHEMBL4877585

SCHEMBL4877585

O=Cc1c(-c2cccc3ccccc23)[nH]c2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.45
GSK3B P49841 3/20 0.44
ADK P55263 1/20 0.44
CYP2A6 P11509 2/20 0.43
BCHE P06276 1/20 0.43
AHR P35869 3/20 0.42
ERN1 O75460 1/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
KIF11 P52732 3/20 0.40
IMPDH2 P12268 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALPL P05186 1/20 0.39
GAA P10253 1/20 0.39
BRD4 O60885 1/20 0.39
PIM1 P11309 1/20 0.39
PIM3 Q86V86 1/20 0.39
PIM2 Q9P1W9 1/20 0.39

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
SCHEMBL14519076 0.82 GSK3B (0.53) PARP1GSK3BCYP2A6AHRMEN1
SCHEMBL22457398 0.77 AHR (0.56) GSK3BCYP2A6AHRMEN1MAPT
SCHEMBL5636554 0.76 KIF11 (0.47) PARP1GSK3BAHRMEN1MAPT
SCHEMBL16107082 0.75 GSK3B (0.56) PARP1GSK3BADKBCHEKIF11
2-Phenyl-1H-Indole-3-Carbaldehyde SCHEMBL1429713 0.75 ESR1 (0.55) GSK3BAHRMEN1MAPTKMT2A
SCHEMBL14519056 0.74 PIK3CA (0.51) GSK3BCYP2A6AHRMEN1MAPT
SCHEMBL18943573 0.74 BCHE (0.46) PARP1GSK3BADKBCHEAHR
SCHEMBL12694210 0.73 TRIM24 (0.43) PARP1CYP2A6ERN1MAPTIMPDH2
SCHEMBL29030265 0.72 GAA (0.48) PARP1GSK3BADKBCHEMEN1
SCHEMBL5634757 0.72 GSK3B (0.46) GSK3BAHRMEN1MAPTKMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8716491-B2 Benzimidazolium dyes and their use as fluorescent chemosensors NEW YORK UNIVERSITY (US) 2014-05-06 US disclosed
US-20080160521-A1 BENZIMIDAZOLIUM DYES AND THEIR USE AS FLUORESCENT CHEMOSENSORS NEW YORK UNIVERSITY (US) 2008-07-03 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-20080160521-A1 BENZIMIDAZOLIUM DYES AND THEIR USE AS FLUORESCENT CHEMOSENSORS IK, C9, CBR3 PARP1 435/4885GSK3B 4820/4885ADK 4779/4885

“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.