SCHEMBL14029902

SCHEMBL14029902

O=C(NCc1ccccc1)c1cnc(NNCc2ccccc2)nc1CF

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 11/20 0.52
THRB P10828 1/20 0.48
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.46
HPGD P15428 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KMT2A Q03164 1/20 0.45
RXFP1 Q9HBX9 1/20 0.44
EGLN1 Q9GZT9 1/20 0.44
HPGDS O60760 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL14005267 0.88 MAPT (0.54) CNR2THRBGAAL3MBTL1KMT2A
SCHEMBL14030757 0.86 RAB9A (0.53) CNR2LMNAGAAKMT2A
SCHEMBL14030749 0.84 ACACB (0.43) CNR2LMNAGAAHPGDEGLN1
SCHEMBL14005266 0.83 RAB9A (0.55) CNR2THRBHPGDKMT2ARXFP1
SCHEMBL4745657 0.82 CNR2 (0.76) CNR2LMNACYP1A2CYP2C19
SCHEMBL14030760 0.81 KMT2A (0.46) GAAHPGDKMT2A
SCHEMBL14030761 0.78 EGLN1 (0.39) CNR2THRBKMT2AEGLN1
SCHEMBL14005262 0.77 HPGDS (0.67) HPGDL3MBTL1HPGDS
SCHEMBL14030766 0.76 HDAC1 (0.46)
SCHEMBL14005263 0.71 CNR2 (0.58) CNR2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080293711-A1 Chemokine receptor modulators METASTATIX, INC. 2008-11-27 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-20080293711-A1 Chemokine receptor modulators CCR5, CCL2, CXCR4 CNR2 496/4885THRB 1846/4885LMNA 4687/4885

“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.