SCHEMBL18015458

SCHEMBL18015458

Cc1cc(-c2ccc(-c3ccccc3Br)cc2)ncc1-c1cccc(F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
LDHA P00338 1/20 0.41
PIM1 P11309 1/20 0.41
MAPK1 P28482 2/20 0.39
ALDH1A1 P00352 1/20 0.39
ALOX5AP P20292 1/20 0.38
FEN1 P39748 1/20 0.38
MAP4K4 O95819 1/20 0.36
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
WNT1 P04628 1/20 0.35
TGFBR1 P36897 1/20 0.35
HPGDS O60760 1/20 0.35
MAOB P27338 1/20 0.35
HCRTR2 O43614 1/20 0.35
RELA Q04206 2/20 0.34
PDK2 Q15119 1/20 0.34

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
SCHEMBL18015452 0.90 LDHA (0.41) HPGDLDHAMAPK1ALDH1A1ALOX5AP
SCHEMBL18015459 0.88 MAPK1 (0.52) KDM4EHPGDNPSR1LDHAMAPK1
SCHEMBL18015449 0.87 LDHA (0.46) KDM4EHPGDNPSR1LDHAMAPK1
SCHEMBL20075600 0.87 ALDH1A1 (0.50) KDM4EHPGDNPSR1LDHAMAPK1
SCHEMBL18015467 0.84 ADORA2A (0.44) KDM4ENPSR1LDHAPIM1MAPK1
SCHEMBL18015497 0.82 GRM5 (0.42) LDHAPIM1WNT1TGFBR1
SCHEMBL21202806 0.82 PIM1 (0.44) KDM4EHPGDNPSR1RXFP1LDHA
SCHEMBL18015348 0.82 PIM1 (0.44) KDM4EHPGDNPSR1RXFP1LDHA
SCHEMBL18015453 0.80 LDHA (0.54) KDM4EHPGDLDHAMAPK1ALDH1A1
SCHEMBL22699338 0.78 LDHA (0.53) KDM4EHPGDLDHATGFBR1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11024815-B2 Metal complexes MERCK PATENT GMBH (DE) 2021-06-01 US disclosed
EP-3254317-B1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2019-07-31 EP disclosed
US-20180026209-A1 Metal Complexes MERCK PATENT GMBH (DE) 2018-01-25 US disclosed
US-20180026209-A1 Metal Complexes MERCK PATENT GMBH (DE) 2018-01-25 US disclosed
WO-2016124304-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2016-08-11 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 (2 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-11024815-B2 Metal complexes EXOC4, EXOC3, TIMCC KDM4E 3894/4885HPGD 4368/4885NPSR1 3462/4885
US-20180026209-A1 Metal Complexes AP3M1, AP2M1, SOD1 KDM4E 3864/4885HPGD 4429/4885NPSR1 3181/4885

“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.