SCHEMBL19833338

SCHEMBL19833338

CC(C)(C)c1ccnc(-c2ccc(-c3ccccc3-c3cc(Cl)cc(-c4ccccc4-c4ccc(-c5cc(C(C)(C)C)ccn5)cc4-c4ccccc4)c3)c(-c3ccccc3)c2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SHMT1 P34896 4/20 0.38
CNR1 P21554 3/20 0.37
CNR2 P34972 2/20 0.37
SHMT2 P34897 2/20 0.36
PIM1 P11309 1/20 0.36
MAP4K4 O95819 2/20 0.33
ASIC3 Q9UHC3 1/20 0.33
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
PLA2G1B P04054 1/20 0.32
NFKB1 P19838 1/20 0.32
CASP3 P42574 1/20 0.32
RAB9A P51151 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
SENP8 Q96LD8 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
SENP6 Q9GZR1 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ATG4B Q9Y4P1 1/20 0.32

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
SCHEMBL21020818 0.93 ASIC3 (0.39) SHMT1ASIC3NPC1ALDH1A1PLA2G1B
SCHEMBL18015356 0.90 PIM1 (0.37) SHMT1CNR1CNR2PIM1MAP4K4
SCHEMBL19831001 0.88 TRPV1 (0.40) ASIC3NPC1RAB9AL3MBTL1TGFBR1
SCHEMBL19831193 0.88 TRPV1 (0.40) ASIC3NPC1RAB9AL3MBTL1TGFBR1
SCHEMBL19833453 0.84 LDHA (0.39) SHMT1SHMT2ASIC3TGFBR1
SCHEMBL18015301 0.83 NPC1 (0.44) ASIC3NPC1ALDH1A1PLA2G1BNFKB1
SCHEMBL19794405 0.83 NPC1 (0.40) ASIC3NPC1ALDH1A1PLA2G1BNFKB1
SCHEMBL19833694 0.83 MAPK1 (0.39) SHMT1ASIC3NPC1ALDH1A1PLA2G1B
SCHEMBL19833584 0.82 TRPV1 (0.36) ASIC3TGFBR1PDK2
SCHEMBL19833337 0.81 CCR1 (0.45) CNR1MAP4K4NPC1ALDH1A1CASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3487865-B1 DINUCLEAR AND OLIGONUCLEAR METAL COMPLEXES CONTAINING TRIPODAL BIDENTATE PART LIGANDS AND THEIR USE IN ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2022-11-23 EP disclosed
US-20190157578-A1 DINUCLEAR AND OLIGONUCLEAR METAL COMPLEXES CONTAINING TRIPODAL BIDENTATE PART LIGANDS AND THEIR USE IN ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2019-05-23 US disclosed
WO-2018019687-A1 DINUCLEAR AND OLIGONUCLEAR METAL COMPLEXES CONTAINING TRIPODAL BIDENTATE PART LIGANDS AND THEIR USE IN ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2018-02-01 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-20190157578-A1 DINUCLEAR AND OLIGONUCLEAR METAL COMPLEXES CONTAINING TRIPODAL BIDENTATE PART LIGANDS AND THEIR USE IN ELECTRONIC DEVICES SSBP1, POLRMT, BICRA SHMT1 3485/4885CNR1 4295/4885CNR2 4607/4885

“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.