SCHEMBL23132196

SCHEMBL23132196

c1ccc(-n2c3ccccc3c3cc(-c4ccc5[nH]c(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)nc5c4)ccc32)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPY5R Q15761 6/20 0.49
▸ KDM4E B2RXH2 5/20 0.45
▸ ATM Q13315 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ PTGER4 P35408 2/20 0.44
▸ NPC1 O15118 6/20 0.40
▸ RAB9A P51151 6/20 0.40
▸ GAA P10253 1/20 0.40
▸ SMN1; SMN2 Q16637 6/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ ALDH1A1 P00352 4/20 0.38
▸ HPGD P15428 4/20 0.38
▸ MAPT P10636 2/20 0.38
▸ PKM P14618 2/20 0.38
▸ CHEK2 O96017 2/20 0.38
▸ NFKB1 P19838 1/20 0.38
▸ NFKB2 Q00653 1/20 0.38
▸ RELA Q04206 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
SCHEMBL29949115 0.96 NPY5R (0.46) NPY5RKDM4EATML3MBTL1PTGER4
SCHEMBL23120186 0.96 NPY5R (0.46) NPY5RKDM4EATML3MBTL1PTGER4
SCHEMBL23120210 0.93 NPY5R (0.45) NPY5RKDM4EATML3MBTL1PTGER4
SCHEMBL29949312 0.93 NPY5R (0.45) NPY5RKDM4EATML3MBTL1PTGER4
SCHEMBL21298554 0.91 NPY5R (0.53) NPY5RKDM4EATML3MBTL1NPC1
SCHEMBL24501022 0.89 NPC1 (0.50) NPY5RKDM4ENPC1RAB9AGAA
SCHEMBL23948708 0.88 NPY5R (0.50) NPY5RKDM4EATML3MBTL1NPC1
SCHEMBL21890267 0.84 NPC1 (0.49) NPY5RKDM4EATML3MBTL1NPC1
SCHEMBL23131911 0.84 NPY5R (0.54) NPY5RKDM4EATML3MBTL1PTGER4
SCHEMBL21298160 0.84 NPC1 (0.51) NPY5RKDM4EATML3MBTL1NPC1

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-20220384735-A1 PERI-CONDENSED HETEROCYCLIC COMPOUNDS AS MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2022-12-01 — — US disclosed
WO-2021053046-A1 PERI-CONDENSED HETEROCYCLIC COMPOUNDS AS MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2021-03-25 — — 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-20220384735-A1 PERI-CONDENSED HETEROCYCLIC COMPOUNDS AS MATERIALS FOR ELECTRONIC DEVICES KCNH1, NES, KCNC1 NPY5R 3702/4885KDM4E 3403/4885ATM 2818/4885

“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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