SCHEMBL419064

SCHEMBL419064

NC(=O)c1csc(NC(=O)c2ccccc2Cl)n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.58
MEN1 O00255 4/20 0.58
KMT2A Q03164 4/20 0.58
MAPT P10636 3/20 0.58
PKM P14618 1/20 0.58
HPGD P15428 5/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
CYP2C19 P33261 3/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
LMNA P02545 3/20 0.51
GRM4 Q14833 1/20 0.50
NPC1 O15118 4/20 0.48
RAB9A P51151 4/20 0.48
KDM4E B2RXH2 2/20 0.48
TP53 P04637 1/20 0.48
GAA P10253 1/20 0.48
HTT P42858 1/20 0.48
HSD17B10 Q99714 1/20 0.48
RCE1 Q9Y256 1/20 0.48

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
SCHEMBL3610516 0.88 ALDH1A1 (0.59) ALDH1A1MEN1KMT2AMAPTPKM
SCHEMBL3594519 0.88 ALDH1A1 (0.59) ALDH1A1MEN1KMT2AMAPTPKM
SCHEMBL5717840 0.81 CSNK2A1 (0.57) ALDH1A1MEN1KMT2AMAPTPKM
SCHEMBL3600963 0.80 RAB9A (0.71) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL6310313 0.80 NPC1 (0.64) ALDH1A1MEN1KMT2AMAPTPKM
SCHEMBL2753865 0.78 MEN1 (0.80) ALDH1A1MEN1KMT2AMAPTPKM
SCHEMBL420828 0.78 CSNK1E (0.59) ALDH1A1MEN1KMT2AHPGDSMN1; SMN2
SCHEMBL22616881 0.78 KMT2A (0.58) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL5717687 0.76 SCD (0.63) ALDH1A1MEN1KMT2AMAPTPKM
SCHEMBL11408682 0.76 ALDH1A1 (0.56) ALDH1A1MEN1KMT2AMAPTPKM

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-20120022068-A1 NOVEL HETEROCYCLIC NF-kB INHIBITORS 4SC AG (DE) 2012-01-26 US disclosed
US-20100267717-A1 Novel Heterocyclic NF-kB Inhibitors 4SC AG (DE) 2010-10-21 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-20100267717-A1 Novel Heterocyclic NF-kB Inhibitors NFKB2, NFKBIA, NFRKB ALDH1A1 2954/4885MEN1 4332/4885KMT2A 645/4885
US-20120022068-A1 NOVEL HETEROCYCLIC NF-kB INHIBITORS NFKB2, NFKBIA, NFRKB ALDH1A1 2954/4885MEN1 4332/4885KMT2A 645/4885

“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.