SCHEMBL3079030

SCHEMBL3079030

CCOC(=O)c1cc(Br)ncc1OCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.51
▸ HSP90AA1 P07900 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ PPIA P62937 2/20 0.50
▸ NMT1 P30419 4/20 0.48
▸ NMT2 O60551 1/20 0.48
▸ MAOB P27338 1/20 0.47
▸ RAB9A P51151 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ NR1H4 Q96RI1 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ GABRA1 P14867 1/20 0.45
▸ GABRG2 P18507 1/20 0.45
▸ GABRB3 P28472 1/20 0.45
▸ GABRA5 P31644 1/20 0.45
▸ GABRA3 P34903 1/20 0.45
▸ GABRA2 P47869 1/20 0.45
▸ MAPT P10636 1/20 0.45

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
SCHEMBL11937855 0.90 MEN1 (0.54) MEN1HSP90AA1KMT2APPIANMT1
SCHEMBL19679230 0.87 NR1H4 (0.53) MEN1HSP90AA1KMT2APPIANMT1
SCHEMBL27001785 0.85 FOLH1 (0.57) MEN1KMT2AL3MBTL1
SCHEMBL30427332 0.84 DPP4 (0.45) MEN1HSP90AA1KMT2ARAB9ATSHR
SCHEMBL19329324 0.84 DPP4 (0.45) MEN1HSP90AA1KMT2ARAB9ATSHR
SCHEMBL23796824 0.84 MEN1 (0.60) MEN1HSP90AA1KMT2APPIANMT1
SCHEMBL23796432 0.83 MEN1 (0.56) MEN1HSP90AA1KMT2APPIANMT1
SCHEMBL2185042 0.79 DPP4 (0.42) MEN1KMT2ARAB9ATSHR
SCHEMBL340937 0.78 HTT (0.69) MEN1HSP90AA1KMT2APPIANPSR1
SCHEMBL19821457 0.78 MEN1 (0.54) MEN1HSP90AA1KMT2APPIANMT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9023882-B2 5-membered nitrogen containing heterocyclic derivatives and pharmaceutical compositions comprising the same KISSEI PHARMACEUTICAL CO., LTD. (JP) 2015-05-05 — — US disclosed
US-20120289506-A1 5-MEMBERED NITROGEN CONTAINING HETEROCYCLIC DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-11-15 — — US disclosed
US-8227500-B2 5-membered nitrogen containing heterocyclic derivatives and pharmaceutical compositions comprising the same KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-07-24 — — US disclosed
US-20100227864-A1 5-MEMBERED HETEROCYCLIC DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES KISSEI PHARMACEUTICAL CO., LTD. (JP) 2010-09-09 — — US disclosed
EP-2133331-A1 5-MEMBERED HETEROCYCLIC DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES Kissei Pharmaceutical Co., Ltd. (JP) 2009-12-16 — — EP 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-20100227864-A1 5-MEMBERED HETEROCYCLIC DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES XDH, DAO, CBR1 MEN1 3974/4885HSP90AA1 4219/4885KMT2A 1484/4885
US-20120289506-A1 5-MEMBERED NITROGEN CONTAINING HETEROCYCLIC DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME XDH, DAO, DDO MEN1 4123/4885HSP90AA1 4448/4885KMT2A 1715/4885

“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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