SCHEMBL19475484

SCHEMBL19475484

C=CCn1c(CCCC)nc(C#N)c1I

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
MAPK1 P28482 1/20 0.37
TP53 P04637 1/20 0.34
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
FPR1 P21462 1/20 0.32
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
HPGD P15428 1/20 0.31
KMT2A Q03164 1/20 0.31
GLA P06280 1/20 0.31
USP2 O75604 1/20 0.30
HSD17B10 Q99714 1/20 0.30
TLR7 Q9NYK1 1/20 0.30

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
SCHEMBL19475180 0.83 ALDH1A1 (0.37) ALDH1A1MAPK1TP53LMNAGAA
SCHEMBL15902219 0.77 TLR7 (0.46) ALDH1A1MAPK1GLATLR7
SCHEMBL19181354 0.67 MEN1 (0.40) ALDH1A1LMNAGAAMAPTMEN1
SCHEMBL1302080 0.65 TLR7 (0.44) ALDH1A1MAPK1LMNAHPGDGLA
SCHEMBL14758127 0.64 TLR7 (0.47) ALDH1A1MAPK1GLATLR7
SCHEMBL6527375 0.61 TP53 (0.66) MAPK1TP53LMNAGAAMAPT
SCHEMBL10656222 0.61 CYP3A4 (0.40) ALDH1A1TP53LMNAGAAMAPT
SCHEMBL7481212 0.61 ALDH1A1 (0.42) ALDH1A1TP53LMNAGAAMAPT
SCHEMBL128 0.61 TLR7 (0.49) TLR7
SCHEMBL1301869 0.60 ALDH1A1 (0.39) ALDH1A1MAPK1TP53LMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190127368-A1 NLRP3 MODULATORS IFM THERAPEUTICS INC (US) 2019-05-02 US disclosed
US-20190127368-A1 NLRP3 MODULATORS IFM THERAPEUTICS INC (US) 2019-05-02 US disclosed
WO-2017184735-A1 NLRP3 MODULATORS IFM THERAPEUTICS, INC (US) 2017-10-26 WO disclosed
WO-2017184735-A1 NLRP3 MODULATORS IFM THERAPEUTICS, INC (US) 2017-10-26 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-20190127368-A1 NLRP3 MODULATORS NLRP3, TLR7, TLR8 ALDH1A1 3322/4885MAPK1 677/4885TP53 100/4885

“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.