SCHEMBL19794476

SCHEMBL19794476

Clc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc5c4oc4ccccc45)n3)cn2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.41
POLB P06746 3/20 0.41
ALDH1A1 P00352 3/20 0.41
NPSR1 Q6W5P4 2/20 0.41
LMNA P02545 2/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
ALOX5 P09917 2/20 0.39
MAOB P27338 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
KDM4E B2RXH2 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
MAP4K4 O95819 1/20 0.36
ALDH1A2 O94788 1/20 0.36
ALDH1A3 P47895 1/20 0.36
PIK3CD O00329 1/20 0.35

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
SCHEMBL18015610 0.97 ALOX5 (0.41) MAPTPOLBALDH1A1NPSR1LMNA
SCHEMBL19794516 0.90 ALOX5 (0.43) MAPTPOLBALDH1A1NPSR1LMNA
SCHEMBL20561305 0.90 MAPT (0.48) MAPTPOLBALDH1A1NPSR1LMNA
SCHEMBL21689651 0.87 ALOX5 (0.49) MAPTPOLBALDH1A1NPSR1LMNA
SCHEMBL19794515 0.86 ALOX5 (0.45) MAPTALDH1A1GAAHPGDALOX5
SCHEMBL22118134 0.85 ALOX5 (0.48) MAPTPOLBALDH1A1NPSR1LMNA
SCHEMBL24153416 0.84 ALOX5 (0.45) MAPTPOLBALDH1A1NPSR1LMNA
SCHEMBL22276558 0.84 ALOX5 (0.41) MAPTPOLBALDH1A1NPSR1LMNA
SCHEMBL18015520 0.82 DGAT1 (0.43) MAPTPOLBALDH1A1NPSR1LMNA
SCHEMBL22889084 0.82 ALOX5 (0.51) MAPTPOLBALDH1A1NPSR1LMNA

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 4 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

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 MAPT 2450/4885POLB 1110/4885ALDH1A1 2742/4885
US-20180026209-A1 Metal Complexes AP3M1, AP2M1, SOD1 MAPT 639/4885POLB 1380/4885ALDH1A1 2597/4885

“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.