SCHEMBL1090037

SCHEMBL1090037

Cc1onc(-c2ccccc2)c1C(=O)NCCNc1nccc(N2CCc3ccccc3C2)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ HDAC6 Q9UBN7 4/20 0.46
▸ HDAC1 Q13547 2/20 0.46
▸ HDAC3 O15379 2/20 0.46
▸ NCOR2 Q9Y618 2/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ HDAC4 P56524 1/20 0.46
▸ HDAC2 Q92769 1/20 0.46
▸ HDAC5 Q9UQL6 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ KDM6B O15054 2/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ GAA P10253 1/20 0.45
▸ TSHR P16473 2/20 0.45
▸ ALDH1A1 P00352 2/20 0.44
▸ HTT P42858 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43

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
SCHEMBL1089590 0.88 L3MBTL1 (0.52) L3MBTL1HDAC6HDAC1HDAC3NCOR2
SCHEMBL1088760 0.87 L3MBTL1 (0.52) L3MBTL1HDAC6HDAC1HDAC3NCOR2
SCHEMBL1090307 0.87 L3MBTL1 (0.52) L3MBTL1HDAC6HDAC1HDAC3NCOR2
SCHEMBL1089794 0.75 KDM6B (0.52) KDM6B
SCHEMBL2954351 0.70 MKNK1 (0.55) KDM6B
SCHEMBL5534089 0.69 GAA (0.74) L3MBTL1HDAC6HDAC1HDAC3NCOR2
SCHEMBL6773023 0.69 L3MBTL1 (0.76) L3MBTL1HDAC6HDAC1HDAC3NCOR2
SCHEMBL2954481 0.69 GRIN2D (0.51) KDM6B
SCHEMBL26377827 0.68 GAA (0.83) L3MBTL1HDAC6HDAC1HDAC3NCOR2
SCHEMBL5533585 0.67 L3MBTL1 (0.69) L3MBTL1HDAC6HDAC1HDAC3NCOR2

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 1254/4885HDAC1 476/4885
US-20070167459-A1 Nitrogen-containing heterocyclic compounds and medicinal use thereof CXCR4, CXCL12, CXCR3 L3MBTL1 2480/4885HDAC6 1254/4885HDAC1 476/4885
US-20120156219-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND MEDICINAL USE THEREOF CXCR4, CXCL12, CXCR3 L3MBTL1 2480/4885HDAC6 1254/4885HDAC1 476/4885

“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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