SCHEMBL14005259

SCHEMBL14005259

CN(Cc1ccccc1)C(=O)c1cnc(NNCc2ccccc2)nc1C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 12/20 0.52
ATF1 P18846 1/20 0.47
NFKB1 P19838 1/20 0.47
HDAC3 O15379 2/20 0.44
HDAC4 P56524 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
KMT2A Q03164 2/20 0.43
TACR1 P25103 1/20 0.43
HPGD P15428 1/20 0.42
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 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
SCHEMBL14030760 0.84 KMT2A (0.46) HDAC3HDAC4HDAC6KMT2AHPGD
SCHEMBL14005276 0.84 CNR2 (0.48) CNR2ATF1NFKB1
SCHEMBL4745657 0.81 CNR2 (0.76) CNR2
SCHEMBL5778821 0.81 CNR2 (0.68) CNR2ATF1NFKB1TACR1
SCHEMBL5780255 0.81 CNR2 (0.68) CNR2ATF1NFKB1
SCHEMBL5077147 0.81 CNR2 (0.55) CNR2ATF1NFKB1TACR1
SCHEMBL5776710 0.80 CNR2 (0.58) CNR2ATF1NFKB1
SCHEMBL5080774 0.80 CNR2 (0.56) CNR2ATF1NFKB1HDAC3HDAC4
SCHEMBL5781324 0.79 CNR2 (0.70) CNR2ALDH1A1
SCHEMBL5780970 0.79 CNR2 (0.70) CNR2ATF1NFKB1HPGDALDH1A1

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-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 CNR2 496/4885ATF1 226/4885NFKB1 526/4885

“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.