SCHEMBL6512204

SCHEMBL6512204

CN1CCOc2cc(N(C(N)=O)c3cccc(C(F)(F)F)c3)ccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.40
TP53 P04637 2/20 0.39
POLB P06746 2/20 0.39
GAA P10253 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HDAC4 P56524 1/20 0.39
PTGER3 P43115 1/20 0.39
CTNNB1 P35222 1/20 0.39
WNT3A P56704 1/20 0.39
SCN9A Q15858 1/20 0.38
KMT2A Q03164 1/20 0.37
PAX8 Q06710 1/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
HTT P42858 2/20 0.36
LMNA P02545 2/20 0.36
TSHR P16473 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAPT P10636 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36

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
SCHEMBL5606524 0.76 CES2 (0.50) TP53KMT2AHTTLMNATSHR
SCHEMBL28217598 0.73 PTGIR (0.46) KMT2AHTTLMNAMAPT
SCHEMBL7090723 0.72 KIF11 (0.49) ARTP53POLBGAATDP1
SCHEMBL7609002 0.70 SRD5A2 (0.55) POLBKMT2AHTTSMN1; SMN2ALDH1A1
SCHEMBL966453 0.70 CES2 (0.49) TP53KMT2AHTTLMNATSHR
SCHEMBL7739130 0.69 CES2 (0.50) KMT2ALMNAMAPTALDH1A1
SCHEMBL7738559 0.68 SRD5A2 (0.52) KMT2ALMNAALDH1A1
SCHEMBL28655154 0.68 CES2 (0.39) TP53KMT2AHTTLMNAMAPT
SCHEMBL27653563 0.68 P2RX1 (0.41) KMT2AMAPTALDH1A1
SCHEMBL14364236 0.68 TSHR (0.57) TP53HDAC4PTGER3KMT2ACYP11B1

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-20050054668-A1 Antagonists of MCP-1 function and methods of use thereof LABORDE EDGARDO (US) 2005-03-10 US claimed

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-20050054668-A1 Antagonists of MCP-1 function and methods of use thereof CCR2, CCR1, CCL2 AR 1533/4885TP53 3229/4885POLB 3224/4885

“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.