SCHEMBL3586995

SCHEMBL3586995

Cc1ccc(-c2ccc3oc(=O)n(CC(=O)NCCN(C)C4CCCCC4)c3c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.47
LMNA P02545 1/20 0.43
TSPO P30536 1/20 0.42
MAOA P21397 1/20 0.41
MAOB P27338 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
SCHEMBL3586999 0.84 KMT2A (0.49) KMT2ALMNATSPOMAOAMAOB
SCHEMBL13115992 0.81 HPGD (0.38) KMT2A
SCHEMBL3599501 0.80 GPR35 (0.38) KMT2A
SCHEMBL3603676 0.79 MTNR1A (0.40) KMT2A
SCHEMBL3602466 0.79 KDM4E (0.44) KMT2ALMNA
SCHEMBL13115657 0.78 KDM4E (0.45) KMT2A
SCHEMBL3591923 0.78 GRIN2B (0.44) KMT2ALMNA
SCHEMBL3586854 0.78 KDM4E (0.42) KMT2A
SCHEMBL13115590 0.78 ATM (0.47)
SCHEMBL3596255 0.77 NPC1 (0.46) KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7807704-B2 Bicyclic, nitrogen-containing compounds modulating CXCR4 and/or CCXCKR2 CHEMOCENTRYX, INC. (US) 2010-10-05 US disclosed
US-7807704-B2 Bicyclic, nitrogen-containing compounds modulating CXCR4 and/or CCXCKR2 CHEMOCENTRYX, INC. (US) 2010-10-05 US disclosed
US-7807704-B2 Bicyclic, nitrogen-containing compounds modulating CXCR4 and/or CCXCKR2 CHEMOCENTRYX, INC. (US) 2010-10-05 US disclosed
US-20070275965-A1 CXCR4 modulators CHEMOCENTRYX, INC. (US) 2007-11-29 US disclosed
US-20070275965-A1 CXCR4 modulators CHEMOCENTRYX, INC. (US) 2007-11-29 US disclosed
US-20070275965-A1 CXCR4 modulators CHEMOCENTRYX, INC. (US) 2007-11-29 US disclosed
WO-2007115231-A2 CXCR4 MODULATORS CHEMOCENTRYX, INC. (US) 2007-10-11 WO disclosed
WO-2007115231-A2 CXCR4 MODULATORS CHEMOCENTRYX, INC. (US) 2007-10-11 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-20070275965-A1 CXCR4 modulators CXCL12, CXCR4, CXCR1 KMT2A 3838/4885LMNA 4638/4885TSPO 679/4885

“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.