SCHEMBL1089656

SCHEMBL1089656

O=C(COc1ccc(Cl)cc1)N1CCCC(N2CCCCC(Nc3nccc(N4CCCCCC4)n3)C2)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.46
MAPT P10636 2/20 0.46
RAB9A P51151 2/20 0.46
HPGD P15428 1/20 0.46
CXCR4 P61073 1/20 0.45
MRGPRX1 Q96LB2 1/20 0.43
CCNK O75909 2/20 0.42
CDK12 Q9NYV4 2/20 0.42
ATF4 P18848 1/20 0.41
HRH4 Q9H3N8 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
ACACB O00763 1/20 0.40
ACHE P22303 1/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
ALK Q9UM73 1/20 0.40
CCR4 P51679 1/20 0.39

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
SCHEMBL1089448 0.99 POLB (0.47) POLBMAPTRAB9AHPGDCXCR4
SCHEMBL1089400 0.96 CXCR4 (0.47) POLBMAPTRAB9AHPGDCXCR4
SCHEMBL1090693 0.92 ACHE (0.49) POLBMAPTRAB9AHPGDCXCR4
SCHEMBL1090456 0.92 SMN1; SMN2 (0.49) POLBMAPTRAB9AHPGDCXCR4
SCHEMBL1089928 0.92 CXCR4 (0.50) CXCR4CCNKCDK12HRH4KDM4E
SCHEMBL1090708 0.91 CXCR4 (0.51) CXCR4CCNKCDK12KDM4EALDH1A1
SCHEMBL1091240 0.89 MRGPRX1 (0.48) POLBCXCR4MRGPRX1CCNKCDK12
SCHEMBL1089351 0.88 ATF4 (0.49) POLBMAPTRAB9AHPGDCXCR4
SCHEMBL1090377 0.88 MRGPRX1 (0.49) POLBCXCR4MRGPRX1CCNKCDK12
SCHEMBL1090439 0.88 CXCR4 (0.53) CXCR4CCNKCDK12KDM4EALDH1A1

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 POLB 2376/4885MAPT 4748/4885RAB9A 1455/4885
US-20070167459-A1 Nitrogen-containing heterocyclic compounds and medicinal use thereof CXCR4, CXCL12, CXCR3 POLB 2376/4885MAPT 4748/4885RAB9A 1455/4885
US-20120156219-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND MEDICINAL USE THEREOF CXCR4, CXCL12, CXCR3 POLB 2376/4885MAPT 4748/4885RAB9A 1455/4885

“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.