SCHEMBL6076554

SCHEMBL6076554

Nc1ccccc1NC(=O)c1ccc(CNC(=O)NCCCN2CCCC2=O)nc1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.55
ALDH1A1 P00352 2/20 0.50
TSHR P16473 2/20 0.50
NAMPT P43490 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
USP2 O75604 1/20 0.44
RAB9A P51151 1/20 0.44
FSHR P23945 1/20 0.44
HDAC1 Q13547 1/20 0.44
MEN1 O00255 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL6077188 0.87 KMT2A (0.59) KMT2ANAMPTSMN1; SMN2RAB9AFSHR
SCHEMBL4488063 0.84 NAMPT (0.63) KMT2AALDH1A1TSHRNAMPTSMN1; SMN2
SCHEMBL6076304 0.80 HDAC1 (0.50) NAMPTHDAC1
SCHEMBL6385896 0.77 L3MBTL1 (0.60) KMT2AALDH1A1TSHRNAMPTSMN1; SMN2
SCHEMBL6076395 0.76 HDAC1 (0.50) TSHRNAMPTHDAC1
SCHEMBL212371 0.72 HDAC1 (0.56) HDAC1
SCHEMBL16495441 0.71 TSHR (0.66) KMT2AALDH1A1TSHRNAMPTSMN1; SMN2
SCHEMBL6076286 0.71 HPGD (0.55) RAB9AHDAC1
SCHEMBL11479783 0.70 KMT2A (0.67) KMT2AALDH1A1TSHRSMN1; SMN2RAB9A
SCHEMBL4233224 0.70 KMT2A (0.45) KMT2AALDH1A1TSHRSMN1; SMN2USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1572625-A1 ARYLENE-CARBOXYLIC ACID (2-AMINO-PHENYL)-AMIDE DERIVATIVES AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2005-09-14 EP claimed
US-20040138270-A1 Novel arylene-carboxylic acid (2-amino-phenyl)-amide derivatives F. HOFFMANN-LA ROCHE AG (CH) 2004-07-15 US claimed
WO-2004052838-A1 ARYLENE-CARBOXYLIC ACID (2-AMINO-PHENYL)-AMIDE DERIVATIVES AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2004-06-24 WO claimed
US-7098247-B2 Arylene-carboxylic acid (2-amino-phenyl)-amide derivatives HOFFMANN-LA ROCHE INC. (US) 2006-08-29 US disclosed
EP-1572625-A1 ARYLENE-CARBOXYLIC ACID (2-AMINO-PHENYL)-AMIDE DERIVATIVES AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2005-09-14 EP disclosed
US-20040138270-A1 Novel arylene-carboxylic acid (2-amino-phenyl)-amide derivatives F. HOFFMANN-LA ROCHE AG (CH) 2004-07-15 US disclosed
WO-2004052838-A1 ARYLENE-CARBOXYLIC ACID (2-AMINO-PHENYL)-AMIDE DERIVATIVES AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2004-06-24 WO 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-20040138270-A1 Novel arylene-carboxylic acid (2-amino-phenyl)-amide derivatives MKI67, API5, ACIN1 KMT2A 3744/4885ALDH1A1 95/4885TSHR 3723/4885

“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.