SCHEMBL18078993

SCHEMBL18078993

CN(CCNC(=O)c1cccnc1C(=O)C(C)(C)C)CC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 2/20 0.38
SIGMAR1 Q99720 2/20 0.38
KMT2A Q03164 3/20 0.38
KDM4E B2RXH2 4/20 0.37
ALDH1A1 P00352 2/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 2/20 0.36
CYP3A4 P08684 1/20 0.35
MAPT P10636 1/20 0.35
TSHR P16473 1/20 0.35
BLM P54132 1/20 0.35
AGER Q15109 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CHIA Q9BZP6 1/20 0.35
RAD52 P43351 1/20 0.35
MEN1 O00255 1/20 0.35
SLC40A1 Q9NP59 1/20 0.35
P2RX7 Q99572 1/20 0.35

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
SCHEMBL18078991 0.91 KDM4E (0.36) TMEM97SIGMAR1KMT2AKDM4EALDH1A1
SCHEMBL18078985 0.88 CYP1A2 (0.45) KMT2AKDM4EALDH1A1ALOX15RAD52
SCHEMBL18078984 0.85 KMT2A (0.35) TMEM97SIGMAR1KMT2AKDM4EALDH1A1
SCHEMBL18078983 0.83 SIGMAR1 (0.45) TMEM97SIGMAR1KDM4EALDH1A1HPGD
SCHEMBL18078994 0.78 ALOX15 (0.43) KMT2AKDM4EALDH1A1ALOX15RAD52
SCHEMBL18078989 0.78 TMEM97 (0.37) TMEM97SIGMAR1RAD52
SCHEMBL18078990 0.78 TMEM97 (0.37) TMEM97SIGMAR1RAD52
SCHEMBL22271947 0.76 KDM4E (0.44) TMEM97SIGMAR1KMT2AKDM4EALDH1A1
SCHEMBL16647663 0.74 HTT (0.48) KMT2AKDM4EALDH1A1ALOX15RAD52
SCHEMBL18078986 0.73 MAPK1 (0.43) KMT2AKDM4EALDH1A1HPGDALOX15

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-10040850-B2 Protecting group comprising a purification tag ASCENDIS PHARMA A/S (DK) 2018-08-07 US disclosed
US-20160257739-A1 PROTECTING GROUP COMPRISING A PURIFICATION TAG ASCENDIS PHARMA A/S (DK) 2016-09-08 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-20160257739-A1 PROTECTING GROUP COMPRISING A PURIFICATION TAG GSTA2, GSTP1, MLN TMEM97 3081/4885SIGMAR1 3891/4885KMT2A 1371/4885
US-10040850-B2 Protecting group comprising a purification tag GSTA2, GSTP1, MLN TMEM97 3081/4885SIGMAR1 3891/4885KMT2A 1371/4885

“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.