SCHEMBL14005183

SCHEMBL14005183

O=C(c1ccc(CNCc2ccccn2)cc1)N(Cc1ccccc1)NCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4A O75164 1/20 0.46
KDM4B O94953 1/20 0.46
KDM5C P41229 1/20 0.46
KDM5B Q9UGL1 1/20 0.46
POLB P06746 2/20 0.45
L3MBTL1 Q9Y468 4/20 0.45
TSHR P16473 2/20 0.44
HPGD P15428 2/20 0.43
LMNA P02545 2/20 0.43
ALOX15 P16050 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
ALDH1A1 P00352 4/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
AGTR1 P30556 1/20 0.41

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
SCHEMBL4878707 0.79 L3MBTL1 (0.47) KDM4AKDM4BKDM5CKDM5BPOLB
SCHEMBL2947235 0.76 ALDH1A1 (0.63) KDM4AKDM4BKDM5CKDM5BPOLB
SCHEMBL29490421 0.76 PARP10 (0.57) KDM4AKDM4BKDM5CKDM5BPOLB
SCHEMBL14025819 0.75 CXCR4 (0.51) KDM4AKDM4BKDM5CKDM5BL3MBTL1
SCHEMBL4896812 0.75 HDAC6 (0.51) HPGDLMNARAB9AALDH1A1HDAC8
SCHEMBL29860055 0.75 L3MBTL1 (0.62) POLBL3MBTL1ALOX15ALDH1A1MEN1
SCHEMBL3314110 0.75 L3MBTL1 (0.62) POLBL3MBTL1ALOX15ALDH1A1MEN1
SCHEMBL4743413 0.74 SMN1; SMN2 (0.57) KDM4AKDM4BKDM5CKDM5BPOLB
SCHEMBL1169765 0.74 L3MBTL1 (0.57) POLBL3MBTL1HPGDLMNAALOX15
SCHEMBL4924546 0.72 CXCR3 (0.64) L3MBTL1TSHRLMNATDP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8809846-B2 Organic molecular memories and organic molecules for organic molecular memories KABUSHIKI KAISHA TOSHIBA (JP) 2014-08-19 US disclosed
US-20080293711-A1 Chemokine receptor modulators METASTATIX, INC. 2008-11-27 US disclosed
US-20080293711-A1 Chemokine receptor modulators METASTATIX, INC. 2008-11-27 US disclosed
WO-2008112156-A1 CHEMOKINE RECEPTOR MODULATORS ALTIRIS THERAPEUTICS (US) 2008-09-18 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 (1 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-20080293711-A1 Chemokine receptor modulators CCR5, CCL2, CXCR4 KDM4A 4403/4885KDM4B 4576/4885KDM5C 4503/4885

“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.