SCHEMBL4417043

SCHEMBL4417043

CCOC(=O)CN(CCNS(=O)(=O)c1nc(-c2ccccc2)c(C)s1)C(=O)Cn1cc(C)c(=O)[nH]c1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 4/20 0.37
HSD17B10 Q99714 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
GAA P10253 1/20 0.34
RARA P10276 1/20 0.34
RARB P10826 1/20 0.34
RARG P13631 1/20 0.34
TK1 P04183 4/20 0.34
PIN1 Q13526 1/20 0.34
KDM4E B2RXH2 1/20 0.34
PKM P14618 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
MAPT P10636 2/20 0.33
POLB P06746 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33

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
SCHEMBL4418604 0.93 TK1 (0.35) ALDH1A1HSD17B10CYP1A2CYP2C9CYP2C19
SCHEMBL4418626 0.91 ADORA3 (0.41) MEN1KMT2AALDH1A1GAATK1
SCHEMBL4414309 0.87 TK1 (0.36) MEN1KMT2AALDH1A1CYP2C9CYP2C19
SCHEMBL3137986 0.86 MAPK1 (0.37) MEN1KMT2AALDH1A1HSD17B10GAA
SCHEMBL4425730 0.84 ADORA3 (0.39) ALDH1A1TK1KDM4EMAPTCA12
SCHEMBL4414797 0.80 TK1 (0.37) TK1CA12CA1CA2CA9
SCHEMBL3136458 0.80 TK2 (0.35) TK1PKMMAPTCA12CA1
SCHEMBL4415591 0.80 CA12 (0.37) KMT2ATK1CA12CA1CA2
SCHEMBL4418646 0.78 DDX3X (0.33) MEN1KMT2AALDH1A1GAAMAPT
SCHEMBL4412201 0.78 RAB9A (0.37) MEN1KMT2AALDH1A1CYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1651642-B1 PNA MONOMER AND PRECURSOR PANAGENE INC (KR) 2009-11-04 EP disclosed
US-7211668-B2 PNA monomer and precursor PANAGENE, INC. (KR) 2007-05-01 US disclosed
US-20050026930-A1 PNA monomer and precursor PANAGENE, INC. (KR) 2005-02-03 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-20050026930-A1 PNA monomer and precursor RNGTT, POLL, NSUN3 MEN1 1967/4885KMT2A 4464/4885ALDH1A1 3450/4885

“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.