SCHEMBL21721819

SCHEMBL21721819

c1ccc(-c2cc(-c3cc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc(-c4cc(-c5cccc(-c6ccc7c(c6)c6ccccc6n7-c6cc(-c7cc(-c8ccccc8)nc(-c8ccccc8)n7)cc(-n7c8ccccc8c8ccccc87)c6)c5)nc(-c5ccccc5)n4)c3)nc(-c3ccccc3)n2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 7/20 0.40
▸ MEN1 O00255 6/20 0.40
▸ MAPT P10636 6/20 0.40
▸ ALDH1A1 P00352 5/20 0.40
▸ HPGD P15428 5/20 0.40
▸ KDM4E B2RXH2 4/20 0.40
▸ LMNA P02545 2/20 0.40
▸ GLA P06280 1/20 0.40
▸ NTSR1 P30989 1/20 0.39
▸ ATM Q13315 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ PTGER4 P35408 1/20 0.35
▸ MAOA P21397 2/20 0.34
▸ MAOB P27338 2/20 0.34
▸ NPY5R Q15761 1/20 0.34
▸ ADORA2A P29274 1/20 0.34
▸ ADORA1 P30542 1/20 0.34
▸ TSPO P30536 1/20 0.34
▸ HDAC4 P56524 1/20 0.34
▸ AKR1C4 P17516 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
SCHEMBL24872561 0.99 KMT2A (0.41) KMT2AMEN1MAPTALDH1A1HPGD
SCHEMBL24090240 0.99 KMT2A (0.41) KMT2AMEN1MAPTALDH1A1HPGD
SCHEMBL25526561 0.98 KMT2A (0.40) KMT2AMEN1MAPTALDH1A1HPGD
SCHEMBL24264367 0.97 KMT2A (0.40) KMT2AMEN1MAPTALDH1A1HPGD
SCHEMBL23482849 0.97 KMT2A (0.40) KMT2AMEN1MAPTALDH1A1HPGD
SCHEMBL15887823 0.97 KDM4E (0.42) KMT2AMEN1MAPTALDH1A1HPGD
SCHEMBL19277872 0.96 MEN1 (0.43) KMT2AMEN1MAPTALDH1A1HPGD
SCHEMBL15887821 0.95 KDM4E (0.43) KMT2AMEN1MAPTALDH1A1HPGD
SCHEMBL24075722 0.95 MEN1 (0.42) KMT2AMEN1MAPTALDH1A1HPGD
SCHEMBL15887986 0.95 KMT2A (0.42) KMT2AMEN1MAPTALDH1A1HPGD

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-11569458-B2 Metal complexes MERCK PATENT GMBH (DE) 2023-01-31 — — US disclosed
US-20200052213-A1 BINUCLEAR METAL COMPLEXES AND ELECTRONIC DEVICES, IN PARTICULAR ORGANIC ELECTROLUMINESCENT DEVICES CONTAINING SAID METAL COMPLEXES MERCK PATENT GMBH (DE) 2020-02-13 — — 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-11569458-B2 Metal complexes IMMT, MCU, SOD1 KMT2A 4304/4885MEN1 2301/4885MAPT 1033/4885
US-20200052213-A1 BINUCLEAR METAL COMPLEXES AND ELECTRONIC DEVICES, IN PARTICULAR ORGANIC ELECTROLUMINESCENT DEVICES CONTAINING SAID METAL COMPLEXES BICRA, NCLN, IMMT KMT2A 2649/4885MEN1 1465/4885MAPT 1511/4885

“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.

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