SCHEMBL4836883

SCHEMBL4836883

NCc1ccnc2c1ccc1cccnc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 5/20 0.57
CCR8 P51685 5/20 0.57
CCR5 P51681 3/20 0.57
L3MBTL1 Q9Y468 2/20 0.57
LMNA P02545 4/20 0.55
KDM4E B2RXH2 3/20 0.55
MAPT P10636 3/20 0.55
TSHR P16473 3/20 0.55
MMP2 P08253 2/20 0.55
TP53 P04637 2/20 0.55
GMNN O75496 1/20 0.55
HSP90AA1 P07900 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
MMP9 P14780 1/20 0.55
ALOX15 P16050 1/20 0.55
NFKB1 P19838 1/20 0.55
MMP8 P22894 1/20 0.55
THPO P40225 1/20 0.55
MTOR P42345 1/20 0.55

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
SCHEMBL4901345 0.83 CCR1 (0.50) CCR1CCR8CCR5L3MBTL1LMNA
SCHEMBL28412542 0.83 KDM4E (0.57) CCR1CCR8CCR5L3MBTL1LMNA
SCHEMBL22824073 0.83 L3MBTL1 (0.57) CCR1CCR8CCR5L3MBTL1LMNA
SCHEMBL9526032 0.83 CCR1 (0.62) CCR1CCR8CCR5L3MBTL1LMNA
SCHEMBL23979275 0.79 CCR1 (0.57) CCR1CCR8CCR5L3MBTL1LMNA
SCHEMBL7458696 0.79 PAX8 (0.57) CCR1CCR8CCR5L3MBTL1LMNA
SCHEMBL3676359 0.79 CCR1 (0.53) CCR1CCR8CCR5L3MBTL1LMNA
SCHEMBL12533508 0.79 CCR1 (0.53) CCR1CCR8CCR5L3MBTL1LMNA
SCHEMBL16361004 0.78 CCR1 (0.51) CCR1CCR8CCR5L3MBTL1LMNA
SCHEMBL31026574 0.78 CCR1 (0.55) CCR1CCR8CCR5L3MBTL1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7465544-B2 Synthetic cofactor analogs of S-adenosylmethionine as ligatable probes of biological methylation and methods for their use WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2008-12-16 US disclosed
US-20070161007-A1 Synthetic cofactor analogs of S-adenosylmethionine as ligatable probes of biological methylation and methods for their use WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2007-07-12 US disclosed
WO-2001034682-A1 PHOSPHORESCENT OXYGEN SENSORS MANNERS IAN (CA) 2001-05-17 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-20070161007-A1 Synthetic cofactor analogs of S-adenosylmethionine as ligatable probes of biological methylation and methods for their use DNMT1, MAT2A, MAT1A CCR1 2894/4885CCR8 3393/4885CCR5 1252/4885

“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.