SCHEMBL5010971

SCHEMBL5010971

Clc1ccc(-c2nc3ccccc3n2Cc2ccccc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 1.00
PDE6D O43924 3/20 0.82
ALDH2 P05091 1/20 0.82
ALDH3A1 P30838 1/20 0.82
TP53 P04637 5/20 0.74
SMN1; SMN2 Q16637 3/20 0.71
HTT P42858 3/20 0.71
NPSR1 Q6W5P4 3/20 0.71
MAPT P10636 2/20 0.71
HPGD P15428 2/20 0.71
DRD2 P14416 1/20 0.66
TBXA2R P21731 1/20 0.66
KDM4E B2RXH2 2/20 0.64
LMNA P02545 2/20 0.64
CNR2 P34972 1/20 0.64
L3MBTL1 Q9Y468 1/20 0.64
GALR3 O60755 1/20 0.64
NR2F2 P24468 1/20 0.64
RAB9A P51151 1/20 0.64
MEN1 O00255 1/20 0.63

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
SCHEMBL28261637 0.95 ALDH1A1 (0.91) ALDH1A1PDE6DALDH2ALDH3A1TP53
SCHEMBL229828 0.91 ALDH1A1 (1.00) ALDH1A1PDE6DALDH2ALDH3A1TP53
SCHEMBL28479510 0.88 ALDH1A1 (0.79) ALDH1A1PDE6DALDH2ALDH3A1TP53
SCHEMBL29411974 0.88 ALDH1A1 (0.79) ALDH1A1PDE6DALDH2ALDH3A1TP53
SCHEMBL29411970 0.88 TP53 (0.89) ALDH1A1PDE6DALDH2ALDH3A1TP53
SCHEMBL15568856 0.87 ALDH1A1 (0.80) ALDH1A1PDE6DALDH2ALDH3A1TP53
SCHEMBL15474496 0.87 ALDH1A1 (0.80) ALDH1A1PDE6DALDH2ALDH3A1TP53
SCHEMBL9006294 0.87 ALDH1A1 (0.80) ALDH1A1PDE6DALDH2ALDH3A1TP53
SCHEMBL15568179 0.85 ALDH1A1 (0.78) ALDH1A1PDE6DALDH2ALDH3A1TP53
SCHEMBL15569395 0.85 ALDH1A1 (0.78) ALDH1A1PDE6DALDH2ALDH3A1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080058525-A1 NOVEL DYE COMPLEXES AND USE THEREOF IN IMAGING MEMBERS AND METHODS ZINK IMAGING, LLC 2008-03-06 US claimed
US-20040171817-A1 Novel dye complexes and use thereof in imaging members and methods ZINK HOLDINGS LLC 2004-09-02 US claimed
WO-2022057930-A1 BENZIMIDAZOLE COMPOUND HAVING ENDOTHELIAL LIPASE INHIBITION EFFECT, AND APPLICATION 盐城师范学院 2022-03-24 WO disclosed
US-20080058525-A1 NOVEL DYE COMPLEXES AND USE THEREOF IN IMAGING MEMBERS AND METHODS ZINK IMAGING, LLC 2008-03-06 US disclosed
US-7282317-B2 Dye complexes and use thereof in imaging members and methods ZINK IMAGING, LLC (US) 2007-10-16 US disclosed
US-20040171817-A1 Novel dye complexes and use thereof in imaging members and methods ZINK HOLDINGS LLC 2004-09-02 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-20080058525-A1 NOVEL DYE COMPLEXES AND USE THEREOF IN IMAGING MEMBERS AND METHODS DBI, HSPE1, ABCB7 ALDH1A1 2233/4885PDE6D 3929/4885ALDH2 454/4885

“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.