SCHEMBL3600135

SCHEMBL3600135

Cc1ccc(-c2ccc3ccn(CC(=O)NCCCN4C(C)CCCC4C)c3c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.49
▸ HSD17B10 Q99714 3/20 0.49
▸ ATM Q13315 2/20 0.48
▸ MAPT P10636 1/20 0.45
▸ GRIN2B Q13224 1/20 0.43
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42

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
SCHEMBL3600661 0.94 KDM4E (0.55) KDM4EHSD17B10ATMGRIN2BMEN1
SCHEMBL3594735 0.84 HSD17B10 (0.57) KDM4EHSD17B10MAPTGRIN2BMEN1
SCHEMBL3597694 0.84 HPGD (0.50) KDM4EHSD17B10MAPTGRIN2BMEN1
SCHEMBL3607170 0.82 KDM4E (0.51) KDM4EHSD17B10GRIN2BKMT2ASMN1; SMN2
SCHEMBL3604427 0.81 GRIN2B (0.45) KDM4EMAPTGRIN2BKMT2AALDH1A1
SCHEMBL3605190 0.80 KMT2A (0.49) KDM4EHSD17B10MAPTGRIN2BMEN1
SCHEMBL3596487 0.80 KDM4E (0.54) KDM4EMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL3591923 0.80 GRIN2B (0.44) KDM4EHSD17B10GRIN2BKMT2ASMN1; SMN2
SCHEMBL3591928 0.80 GRIN2B (0.46) KDM4EHSD17B10GRIN2BKMT2ASMN1; SMN2
SCHEMBL3597085 0.80 KDM4E (0.46) KDM4EHSD17B10GRIN2BMEN1KMT2A

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 2 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-20070275965-A1 CXCR4 modulators CHEMOCENTRYX, INC. (US) 2007-11-29 — — US 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 KDM4E 4801/4885HSD17B10 3413/4885ATM 3561/4885

“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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