SCHEMBL50873

SCHEMBL50873

N#Cc1c(F)ccc2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.45
KDM4E B2RXH2 4/20 0.45
HSD17B10 Q99714 2/20 0.44
CYP2A6 P11509 1/20 0.44
TSHR P16473 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
HPRT1 P00492 2/20 0.44
MEN1 O00255 2/20 0.43
GAA P10253 2/20 0.43
MAPT P10636 2/20 0.43
KMT2A Q03164 2/20 0.43
CACNA1B Q00975 1/20 0.43
APBA1 Q02410 1/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CYP1A2 P05177 2/20 0.42
CYP2C19 P33261 1/20 0.42
CYP3A4 P08684 1/20 0.41
HPGD P15428 1/20 0.41
HIF1A Q16665 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
SCHEMBL3251732 0.79 ALDH1A1 (0.44) ALDH1A1KDM4EHSD17B10CYP2A6TSHR
SCHEMBL23054105 0.79 CYP2A6 (0.44) ALDH1A1KDM4EHSD17B10CYP2A6TSHR
SCHEMBL30220310 0.79 CYP2A6 (0.44) ALDH1A1KDM4EHSD17B10CYP2A6TSHR
SCHEMBL29977029 0.79 CYP2A6 (0.44) ALDH1A1KDM4EHSD17B10CYP2A6TSHR
Methyl Alcohol SCHEMBL11298761 0.78 MAP2K2 (0.37) ALDH1A1KDM4EHSD17B10CYP2A6HPRT1
SCHEMBL646163 0.77 CA1 (0.52) ALDH1A1KDM4EHSD17B10CYP2A6TSHR
SCHEMBL1392608 0.75 ALDH1A1 (0.45) ALDH1A1KDM4EHSD17B10CYP2A6TSHR
SCHEMBL2419451 0.75 ALDH1A1 (0.46) ALDH1A1KDM4EHSD17B10CYP2A6TSHR
SCHEMBL5251868 0.75 ALDH1A1 (0.48) ALDH1A1KDM4EHSD17B10CYP2A6TSHR
SCHEMBL7306027 0.75 CA1 (0.47) ALDH1A1KDM4EHSD17B10CYP2A6TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4319754-A1 COMBINATION THERAPIES USING PRMT5 INHIBITORS FOR THE TREATMENT OF CANCER Mirati Therapeutics, Inc. (US) 2024-02-14 EP disclosed
US-8129554-B2 Metal complexes MERCK PATENT GMBH (DE) 2012-03-06 US disclosed
EP-1915386-B1 METAL COMPLEX MERCK PATENT GMBH (DE) 2011-06-08 EP disclosed
US-20090118453-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2009-05-07 US disclosed
EP-1915386-A1 METAL COMPLEX Merck Patent GmbH (DE) 2008-04-30 EP disclosed
WO-2007092391-A1 ANDROGEN RECEPTOR MODULATORS AND METHODS OF TREATING DISEASE USING THE SAME ACADIA PHARMACEUTICALS INC. (US) 2007-08-16 WO disclosed
WO-2007019942-A1 METAL COMPLEX MERCK PATENT GMBH (DE) 2007-02-22 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-20090118453-A1 METAL COMPLEXES SOD1, AP1M1, AP2M1 ALDH1A1 366/4885KDM4E 3254/4885HSD17B10 2072/4885

“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.