SCHEMBL3200372

SCHEMBL3200372

CN(CCNC(=O)Cn1ncc2[nH]c(=O)c3ccccc3c21)C1CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.45
PARP1 P09874 2/20 0.44
KMT2A Q03164 3/20 0.42
ATM Q13315 1/20 0.42
MAPT P10636 2/20 0.41
TP53 P04637 1/20 0.41
BCHE P06276 3/20 0.40
ACHE P22303 3/20 0.40
THRB P10828 1/20 0.40
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.39
HPGD P15428 1/20 0.39
CHRNA7 P36544 1/20 0.39
NPSR1 Q6W5P4 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
SCHEMBL3198605 0.83 KMT2A (0.48) LMNAKMT2AMAPTTP53THRB
SCHEMBL3200380 0.83 LMNA (0.45) LMNAPARP1KMT2AATMMAPT
SCHEMBL3198668 0.82 ATM (0.49) LMNAKMT2AATMMAPTTP53
SCHEMBL3203581 0.80 NPSR1 (0.63) MAPTTP53NPSR1
SCHEMBL3193896 0.79 TP53 (0.43) LMNAKMT2AATMMAPTTP53
SCHEMBL3602593 0.77 TSHR (0.57) KMT2AATMMAPTTP53BCHE
SCHEMBL3591608 0.76 BCHE (0.43) KMT2AATMMAPTTP53BCHE
SCHEMBL3597424 0.75 TSHR (0.41) KMT2AATMMAPTTP53BCHE
SCHEMBL3591258 0.74 MAPK1 (0.45) KMT2AATMMAPTTP53BCHE
SCHEMBL3193832 0.73 MAPT (0.45) LMNAKMT2AMAPTTP53BCHE

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-7671069-B2 Tricyclic, heteroaromatic compounds modulating CXCR4 and/ or CXCR7 CHEMOCENTRYX, INC. (US) 2010-03-02 US disclosed
US-7671069-B2 Tricyclic, heteroaromatic compounds modulating CXCR4 and/ or CXCR7 CHEMOCENTRYX, INC. (US) 2010-03-02 US disclosed
US-7671069-B2 Tricyclic, heteroaromatic compounds modulating CXCR4 and/ or CXCR7 CHEMOCENTRYX, INC. (US) 2010-03-02 US disclosed
US-20070254915-A1 CXCR4 MODULATORS CHEMOCENTRYX, INC. (US) 2007-11-01 US disclosed
US-20070254915-A1 CXCR4 MODULATORS CHEMOCENTRYX, INC. (US) 2007-11-01 US disclosed
US-20070254915-A1 CXCR4 MODULATORS CHEMOCENTRYX, INC. (US) 2007-11-01 US disclosed
WO-2007115232-A2 CXCR4 MODULATORS CHEMOCENTRYX, INC. (US) 2007-10-11 WO disclosed
WO-2007115232-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-20070254915-A1 CXCR4 MODULATORS CXCL12, CXCR4, CXCR1 LMNA 4638/4885PARP1 3702/4885KMT2A 3838/4885

“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.