SCHEMBL15425558

SCHEMBL15425558

COC(=O)c1nc(-c2cn3nc(NC(=O)CCC[N+](C)(C)C)nc3c(-c3cccc(C(F)(F)F)c3)c2C)n(-c2ccc(C#N)cc2)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 1/20 0.37
ELANE P08246 6/20 0.35
ADORA2A P29274 1/20 0.34
ALDH1A1 P00352 3/20 0.33
NPSR1 Q6W5P4 2/20 0.33
KDM4E B2RXH2 2/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 2/20 0.33
MAPT P10636 2/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
VNN1 O95497 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
NTRK1 P04629 1/20 0.31
NTRK2 Q16620 1/20 0.31
USP2 O75604 1/20 0.31
GAA P10253 1/20 0.31
HTT P42858 1/20 0.31

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
Bromide SCHEMBL15412068 0.99 MALT1 (0.36) MALT1ELANEADORA2AALDH1A1NPSR1
SCHEMBL15425551 0.94 KMT2A (0.40) MALT1ELANEADORA2AALDH1A1NPSR1
Formic Acid SCHEMBL15412152 0.92 KMT2A (0.38) MALT1ELANEADORA2AALDH1A1NPSR1
SCHEMBL18076215 0.92 MALT1 (0.37) MALT1ELANEADORA2AALDH1A1NPSR1
Formic Acid SCHEMBL15412150 0.91 KMT2A (0.37) MALT1ELANEADORA2AALDH1A1NPSR1
SCHEMBL15411499 0.89 MALT1 (0.38) MALT1ELANEADORA2AALDH1A1NPSR1
SCHEMBL15425572 0.88 ELANE (0.36) MALT1ELANEADORA2AVNN1RXFP1
Bromide SCHEMBL15411927 0.88 ELANE (0.36) MALT1ELANEADORA2AVNN1RXFP1
SCHEMBL15425389 0.88 ELANE (0.44) MALT1ELANEADORA2AKDM4EKMT2A
Bromide SCHEMBL15411633 0.87 ELANE (0.44) MALT1ELANEADORA2AKDM4EKMT2A

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-9199984-B2 Inhibition of enzymes CHIESI FARMACEUTICI S.P.A. (IT) 2015-12-01 US disclosed
US-20140018345-A1 INHIBITION OF ENZYMES CHIESI FARMACEUTICI S.P.A (IT) 2014-01-16 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-20140018345-A1 INHIBITION OF ENZYMES SERPINB1, ELANE, MPO MALT1 4442/4885ELANE 2/4885ADORA2A 1511/4885

“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.