SCHEMBL6076005

SCHEMBL6076005

CC(=O)NCCNC(=O)NCc1ccc(C(=O)O)s1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.58
RAB9A P51151 2/20 0.58
MAPT P10636 2/20 0.58
NPC1 O15118 1/20 0.58
HTT P42858 1/20 0.58
TP53 P04637 1/20 0.46
TDP1 Q9NUW8 1/20 0.45
PDCD1 Q15116 1/20 0.41
CD274 Q9NZQ7 1/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KMT2A Q03164 2/20 0.40
HSD17B10 Q99714 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
CNR1 P21554 1/20 0.40
LMNA P02545 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
DAO P14920 1/20 0.39
IDO1 P14902 3/20 0.36

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
SCHEMBL24667463 0.88 ALDH1A1 (0.69) ALDH1A1RAB9AMAPTNPC1HTT
SCHEMBL6078713 0.83 MAPK1 (0.48) ALDH1A1RAB9AMAPTNPC1HTT
SCHEMBL6076912 0.83 TP53 (0.50) ALDH1A1RAB9AMAPTNPC1HTT
SCHEMBL6076927 0.81 ALDH1A1 (0.56) ALDH1A1RAB9AMAPTNPC1HTT
SCHEMBL6077783 0.80 ALDH1A1 (0.43) ALDH1A1RAB9AMAPTNPC1HTT
SCHEMBL6077455 0.79 TP53 (0.46) ALDH1A1RAB9AMAPTNPC1HTT
SCHEMBL6077211 0.79 TP53 (0.46) ALDH1A1RAB9AMAPTNPC1HTT
SCHEMBL6076886 0.79 LMNA (0.46) ALDH1A1RAB9AMAPTNPC1HTT
SCHEMBL6077293 0.79 RAB9A (0.44) ALDH1A1RAB9AMAPTNPC1HTT
SCHEMBL6076202 0.78 TSHR (0.46) ALDH1A1RAB9AMAPTNPC1HTT

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 ALDH1A1 95/4885RAB9A 1502/4885MAPT 4664/4885

“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.