SCHEMBL1089590

SCHEMBL1089590

Cc1onc(-c2ccccc2)c1C(=O)NCCNc1nccc(N2CCCC2)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ HDAC6 Q9UBN7 4/20 0.50
▸ ALDH1A1 P00352 4/20 0.50
▸ KMT2A Q03164 3/20 0.50
▸ MAPT P10636 2/20 0.50
▸ HDAC1 Q13547 2/20 0.50
▸ HDAC3 O15379 2/20 0.50
▸ NCOR2 Q9Y618 2/20 0.50
▸ MEN1 O00255 2/20 0.50
▸ KDM4E B2RXH2 2/20 0.50
▸ LMNA P02545 1/20 0.50
▸ HDAC4 P56524 1/20 0.50
▸ HDAC2 Q92769 1/20 0.50
▸ HDAC5 Q9UQL6 1/20 0.50
▸ GAA P10253 2/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49
▸ TSHR P16473 1/20 0.49
▸ HTT P42858 2/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47

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
SCHEMBL1090307 0.99 L3MBTL1 (0.52) L3MBTL1HDAC6ALDH1A1KMT2AMAPT
SCHEMBL1088760 0.99 L3MBTL1 (0.52) L3MBTL1HDAC6ALDH1A1KMT2AMAPT
SCHEMBL1090037 0.88 L3MBTL1 (0.48) L3MBTL1HDAC6ALDH1A1KMT2AMAPT
SCHEMBL1091026 0.78 CXCR4 (0.58) KMT2AHDAC1HDAC3KDM4EHTT
SCHEMBL1089291 0.73 CXCR4 (0.64) ALDH1A1LMNA
SCHEMBL5534089 0.73 GAA (0.74) L3MBTL1HDAC6ALDH1A1KMT2AMAPT
SCHEMBL6773023 0.72 L3MBTL1 (0.76) L3MBTL1HDAC6ALDH1A1KMT2AMAPT
SCHEMBL1090274 0.72 CXCR4 (0.55) ALDH1A1KMT2AMAPTMEN1GAA
SCHEMBL26377827 0.71 GAA (0.83) L3MBTL1HDAC6ALDH1A1KMT2AMAPT
SCHEMBL5533585 0.71 L3MBTL1 (0.69) L3MBTL1HDAC6ALDH1A1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120156219-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND MEDICINAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2012-06-21 — — US disclosed
US-8153625-B2 Nitrogen-containing heterocyclic compounds and medicinal use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2012-04-10 — — US disclosed
US-20100221259-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND MEDICINAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2010-09-02 — — US disclosed
US-7759336-B2 Nitrogen-containing heterocyclic compounds and medicinal use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2010-07-20 — — US disclosed
US-20070167459-A1 Nitrogen-containing heterocyclic compounds and medicinal use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2007-07-19 — — US disclosed
EP-1571146-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND MEDICINAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2005-09-07 — — 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 (3 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-20100221259-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND MEDICINAL USE THEREOF CXCR4, CXCL12, CXCR3 L3MBTL1 2480/4885HDAC6 1254/4885ALDH1A1 916/4885
US-20070167459-A1 Nitrogen-containing heterocyclic compounds and medicinal use thereof CXCR4, CXCL12, CXCR3 L3MBTL1 2480/4885HDAC6 1254/4885ALDH1A1 916/4885
US-20120156219-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND MEDICINAL USE THEREOF CXCR4, CXCL12, CXCR3 L3MBTL1 2480/4885HDAC6 1254/4885ALDH1A1 916/4885

“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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