SCHEMBL2434990

SCHEMBL2434990

Clc1ccc(-c2nc(C3CCOCC3)c3cnccn23)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 9/20 0.56
▸ GAA P10253 8/20 0.56
▸ KDM4E B2RXH2 7/20 0.56
▸ ALDH1A1 P00352 5/20 0.42
▸ HPGD P15428 1/20 0.42
▸ GFER P55789 1/20 0.42
▸ ALOX5 P09917 1/20 0.42
▸ HTT P42858 1/20 0.39
▸ KCNH2 Q12809 5/20 0.39
▸ AOC3 Q16853 2/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ CASP1 P29466 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ CASP7 P55210 1/20 0.36
▸ PDE1A P54750 1/20 0.36
▸ PDE1B Q01064 1/20 0.36
▸ PDE1C Q14123 1/20 0.36
▸ SLC2A1 P11166 1/20 0.36

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
SCHEMBL14875393 0.93 MAPT (0.54) MAPTGAAKDM4EALDH1A1HPGD
SCHEMBL14875576 0.83 GAA (0.53) MAPTGAAKDM4EALDH1A1HPGD
SCHEMBL14875657 0.81 MAPT (0.53) MAPTGAAKDM4EALDH1A1HPGD
SCHEMBL2434998 0.79 GAA (0.47) MAPTGAAKDM4EALDH1A1HPGD
SCHEMBL2463999 0.77 KDM4E (0.57) MAPTGAAKDM4EALDH1A1KCNH2
SCHEMBL14875394 0.74 GAA (0.46) MAPTGAAKDM4EALDH1A1HPGD
SCHEMBL14875659 0.71 GAA (0.43) MAPTGAAKDM4EALDH1A1HPGD
SCHEMBL14875788 0.69 GAA (0.64) MAPTGAAKDM4EALDH1A1HPGD
SCHEMBL2462781 0.68 KCNH2 (0.41) KCNH2AOC3
SCHEMBL2464004 0.68 GRIA1 (0.47) MAPTGAAKDM4EALDH1A1ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160113893-A1 NEW THERAPEUTIC USES OF ENZYME INHIBITORS UPSHER-SMITH LABORATORIES, INC. 2016-04-28 — — US claimed
US-9227967-B2 Inhibitor compounds of semicarbazide-sensitive amine oxidases PROXIMAGEN LIMITED (GB) 2016-01-05 — — US claimed
EP-2927233-A1 INHIBITORS OF SEMICARBAZIDE-SENSITIVE AMINE OXIDASE Proximagen Limited (GB) 2015-10-07 — — EP claimed
US-20130102587-A1 New Enzyme Inhibitor Compounds PROXIMAGEN LIMITED (GB) 2013-04-25 — — US claimed
WO-2011113798-A2 NEW ENZYME INHIBITOR COMPOUNDS PROXIMAGEN LIMITED (GB) 2011-09-22 — — WO claimed
EP-3777846-A1 VAP-1 INHIBITORS FOR TREATING PAIN BenevolentAI Cambridge Limited (GB) 2021-02-17 — — EP disclosed
US-9227967-B2 Inhibitor compounds of semicarbazide-sensitive amine oxidases PROXIMAGEN LIMITED (GB) 2016-01-05 — — US disclosed
EP-2927233-A1 INHIBITORS OF SEMICARBAZIDE-SENSITIVE AMINE OXIDASE Proximagen Limited (GB) 2015-10-07 — — EP disclosed
EP-2547677-B1 INHIBITORS OF SEMICARBAZIDE-SENSITIVE AMINE OXIDASE PROXIMAGEN LTD (GB) 2015-05-06 — — EP disclosed
US-20130102587-A1 New Enzyme Inhibitor Compounds PROXIMAGEN LIMITED (GB) 2013-04-25 — — US disclosed
WO-2011113798-A2 NEW ENZYME INHIBITOR COMPOUNDS PROXIMAGEN LIMITED (GB) 2011-09-22 — — 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 (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-20160113893-A1 NEW THERAPEUTIC USES OF ENZYME INHIBITORS VAPB, VAPA, AOX1 MAPT 3148/4885GAA 10/4885KDM4E 3168/4885
US-20130102587-A1 New Enzyme Inhibitor Compounds SERPINB1, SSB, NFKBIA MAPT 4230/4885GAA 6/4885KDM4E 2930/4885

“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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