SCHEMBL4490213

SCHEMBL4490213

COC(=O)C(CCSC)NC(=O)c1ccc(C(=O)N(N)c2ccccc2)nc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.52
APOBEC3G Q9HC16 1/20 0.51
TAS1R3 Q7RTX0 2/20 0.48
TAS1R1 Q7RTX1 2/20 0.48
KMT2A Q03164 2/20 0.48
FNTA P49354 5/20 0.43
FNTB P49356 5/20 0.43
GAA P10253 2/20 0.43
TDP1 Q9NUW8 1/20 0.42
CA2 P00918 2/20 0.41
CA1 P00915 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
POLB P06746 1/20 0.41
MAPK14 Q16539 1/20 0.41
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40

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
SCHEMBL4481743 0.80 TAS1R3 (0.46) L3MBTL1TAS1R3TAS1R1KMT2ACYP2C19
SCHEMBL4490204 0.80 MAPK14 (0.53) L3MBTL1APOBEC3GTAS1R3TAS1R1KMT2A
SCHEMBL2323686 0.77 L3MBTL1 (0.74) L3MBTL1APOBEC3GTAS1R3TAS1R1KMT2A
SCHEMBL18095164 0.77 L3MBTL1 (0.74) L3MBTL1APOBEC3GTAS1R3TAS1R1KMT2A
SCHEMBL4469287 0.74 EGLN1 (0.43) L3MBTL1KMT2AGAAMEN1ALDH1A1
SCHEMBL6861242 0.73 KMT2A (0.61) L3MBTL1APOBEC3GTAS1R3TAS1R1KMT2A
SCHEMBL8106910 0.72 L3MBTL1 (0.74) L3MBTL1TAS1R3TAS1R1KMT2AFNTA
SCHEMBL8367884 0.72 L3MBTL1 (0.74) L3MBTL1TAS1R3TAS1R1KMT2AFNTA
Hydrochloric Acid SCHEMBL8362566 0.71 L3MBTL1 (0.73) L3MBTL1TAS1R3TAS1R1KMT2AFNTA
SCHEMBL13525007 0.70 L3MBTL1 (0.71) L3MBTL1APOBEC3GTAS1R3TAS1R1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7071219-B2 Mono-acylated o-phenylendiamines derivatives HOFFMANN-LA ROCHE INC. (US) 2006-07-04 US claimed
EP-1592667-A2 NEW MONO-ACYLATED O-PHENYLENDIAMINES DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2005-11-09 EP claimed
WO-2004069803-A2 MONO-ACYLATED O-PHENYLENDIAMINES DERIVATIVES AND THEIR USE AGAINST CANCER F. HOFFMANN-LA ROCHE AG (CH) 2004-08-19 WO claimed
US-20040162317-A1 Mono-acylated o-phenylendiamines derivatives F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2004-08-19 US claimed
US-7501451-B2 Mono-acylated o-phenylendiamines derivatives HOFFMANN-LA ROCHE INC. (US) 2009-03-10 US disclosed
US-7071219-B2 Mono-acylated o-phenylendiamines derivatives HOFFMANN-LA ROCHE INC. (US) 2006-07-04 US disclosed
US-20060089403-A1 Mono-acylated o-phenylendiamines derivatives FERTIG GEORG 2006-04-27 US disclosed
EP-1592667-A2 NEW MONO-ACYLATED O-PHENYLENDIAMINES DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2005-11-09 EP disclosed
WO-2004069803-A2 MONO-ACYLATED O-PHENYLENDIAMINES DERIVATIVES AND THEIR USE AGAINST CANCER F. HOFFMANN-LA ROCHE AG (CH) 2004-08-19 WO disclosed
US-20040162317-A1 Mono-acylated o-phenylendiamines derivatives F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2004-08-19 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-20060089403-A1 Mono-acylated o-phenylendiamines derivatives HDAC1, HDAC10, HDAC11 L3MBTL1 1688/4885APOBEC3G 4583/4885TAS1R3 3757/4885
US-20040162317-A1 Mono-acylated o-phenylendiamines derivatives HDAC1, HDAC11, HDAC10 L3MBTL1 1178/4885APOBEC3G 4796/4885TAS1R3 2641/4885

“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.