SCHEMBL2561256

SCHEMBL2561256

O=CC=NNc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOX1 Q9Y5S8 2/20 0.54
▸ MAPT P10636 11/20 0.46
▸ GAA P10253 9/20 0.46
▸ KMT2A Q03164 8/20 0.46
▸ MEN1 O00255 7/20 0.46
▸ RAB9A P51151 6/20 0.46
▸ ALDH1A1 P00352 6/20 0.46
▸ HPGD P15428 3/20 0.46
▸ GFER P55789 2/20 0.46
▸ LMNA P02545 2/20 0.46
▸ NPC1 O15118 4/20 0.45
▸ MAPK1 P28482 3/20 0.45
▸ TAAR1 Q96RJ0 1/20 0.42
▸ TDP1 Q9NUW8 3/20 0.40
▸ CYP1A1 P04798 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ CYP1B1 Q16678 1/20 0.40
▸ KDM4E B2RXH2 4/20 0.40
▸ SMN1; SMN2 Q16637 4/20 0.40
▸ SENP7 Q9BQF6 2/20 0.40

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
SCHEMBL2561254 1.00 NOX1 (0.54) NOX1MAPTGAAKMT2AMEN1
SCHEMBL14294534 1.00 NOX1 (0.54) NOX1MAPTGAAKMT2AMEN1
SCHEMBL13109406 0.85 NOX1 (0.62) NOX1MAPTGAAKMT2AMEN1
SCHEMBL16111930 0.85 NOX1 (0.62) NOX1MAPTGAAKMT2AMEN1
SCHEMBL16111932 0.85 NOX1 (0.62) NOX1MAPTGAAKMT2AMEN1
SCHEMBL680401 0.78 GAA (0.45) MAPTGAAKMT2AMEN1RAB9A
SCHEMBL7527344 0.78 MAPT (0.47) MAPTGAAKMT2AMEN1RAB9A
SCHEMBL680400 0.78 GAA (0.45) MAPTGAAKMT2AMEN1RAB9A
SCHEMBL1876868 0.77 NOX1 (0.54) NOX1MAPTGAAKMT2AMEN1
SCHEMBL1876865 0.77 NOX1 (0.54) NOX1MAPTGAAKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 — — US disclosed
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 — — US disclosed
EP-3540059-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2019-09-18 — — EP disclosed
EP-2558577-B1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION AS (DK) 2018-12-12 — — EP disclosed
EP-2604597-B1 HETEROCYCLIC COMPOUND AND USE THEREOF INHIBITOR OF PHOSPHODIESTERASE 10A TAKEDA PHARMACEUTICALS CO (JP) 2017-01-04 — — EP disclosed
US-9150588-B2 Substituted pyridazin-4(1H)-ones as phosphodiesterase 10A inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-10-06 — — US disclosed
US-20130281324-A1 BI-FUNCTINAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2013-10-24 — — US disclosed
EP-2604597-A1 HETEROCYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2013-06-19 — — EP disclosed
US-20130137675-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-30 — — US disclosed
EP-2558577-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2013-02-20 — — EP disclosed
WO-2011127933-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2011-10-20 — — WO disclosed
US-4016263-A BACTERICIDES BOEHRINGER INGELHEIM GMBH (DT) 1977-04-05 — — 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 (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-20130137675-A1 HETEROCYCLIC COMPOUND AND USE THEREOF PDE3A, PDE2A, PDE5A NOX1 41/4885MAPT 3481/4885GAA 604/4885

“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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