SCHEMBL6076886

SCHEMBL6076886

CCN(CC)CCCNC(=O)NCc1ccc(C(=O)O)s1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.46
GAA P10253 1/20 0.44
ACKR3 P25106 5/20 0.44
ALDH1A1 P00352 5/20 0.42
HTT P42858 2/20 0.42
NPC1 O15118 1/20 0.42
MAPT P10636 1/20 0.42
RAB9A P51151 1/20 0.42
ALOX15 P16050 1/20 0.41
TP53 P04637 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NSD2 O96028 1/20 0.41
MAPK1 P28482 2/20 0.39
TSHR P16473 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MITF O75030 1/20 0.38

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
SCHEMBL6077390 0.91 ACKR3 (0.45) LMNAACKR3ALDH1A1HTTNPC1
SCHEMBL6078713 0.82 MAPK1 (0.48) LMNAGAAALDH1A1HTTNPC1
SCHEMBL6077293 0.80 RAB9A (0.44) ALDH1A1HTTNPC1MAPTRAB9A
SCHEMBL6076202 0.79 TSHR (0.46) LMNAGAAALDH1A1HTTNPC1
SCHEMBL6076005 0.79 ALDH1A1 (0.58) LMNAALDH1A1HTTNPC1MAPT
SCHEMBL6077783 0.79 ALDH1A1 (0.43) ACKR3ALDH1A1HTTNPC1MAPT
SCHEMBL6077347 0.77 LMNA (0.55) LMNAGAAALDH1A1HTTNPC1
SCHEMBL6076912 0.76 TP53 (0.50) LMNAALDH1A1HTTNPC1MAPT
SCHEMBL24486834 0.76 LMNA (0.64) LMNAGAAACKR3ALDH1A1ALOX15
SCHEMBL7260964 0.74 ALDH1A1 (0.59) LMNAGAAACKR3ALDH1A1NPC1

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 LMNA 1742/4885GAA 670/4885ACKR3 2488/4885

“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.