SCHEMBL4263180

SCHEMBL4263180

O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cccc(C(=O)N2CCCCC2)c1OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.49
SCN9A Q15858 2/20 0.48
RXFP1 Q9HBX9 3/20 0.48
P2RX1 P51575 7/20 0.47
P2RX7 Q99572 3/20 0.47
P2RX4 Q99571 2/20 0.47
LRRK2 Q5S007 3/20 0.46
TMPRSS4 Q9NRS4 1/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
RHOA P61586 1/20 0.44
LMNA P02545 1/20 0.44
DHODH Q02127 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
SCHEMBL130726 0.83 LRRK2 (0.54) SMN1; SMN2RXFP1P2RX1LRRK2LMNA
SCHEMBL5060349 0.77 SGMS2 (0.70) RXFP1P2RX1P2RX7P2RX4LRRK2
SCHEMBL256456 0.73 LRRK2 (0.63) LRRK2
SCHEMBL3277363 0.73 LRRK2 (0.50) LRRK2
SCHEMBL256445 0.71 LRRK2 (0.64) LRRK2
SCHEMBL14886070 0.71 LRRK2 (0.74) P2RX1P2RX7P2RX4LRRK2TMPRSS4
SCHEMBL130386 0.71 LRRK2 (0.62) P2RX1P2RX7P2RX4LRRK2
SCHEMBL128623 0.70 P2RX1 (0.60) P2RX1P2RX7P2RX4TMPRSS4MEN1
SCHEMBL131166 0.69 LRRK2 (0.63) RXFP1P2RX1LRRK2MEN1KMT2A
SCHEMBL168500 0.69 HPGD (0.49) SMN1; SMN2SCN9AMEN1KMT2ALMNA

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-20090192122-A2 INFLAMMATORY CYTOKINE RELEASE INHIBITOR INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2009-07-30 US disclosed
US-20080249071-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR INSTITUTE OF MEDICINAL MOLECULAR DESIGN. INC. (JP) 2008-10-09 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 (2 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-20090192122-A2 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A SMN1; SMN2 4859/4885SCN9A 1072/4885RXFP1 1763/4885
US-20080249071-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A SMN1; SMN2 4859/4885SCN9A 1072/4885RXFP1 1763/4885

“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.