SCHEMBL6076314

SCHEMBL6076314

O=C(CC1CC1)NCc1ccc(C(=O)O)s1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.48
NPC1 O15118 5/20 0.48
TP53 P04637 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
POLB P06746 1/20 0.46
HPGD P15428 7/20 0.43
RECQL P46063 1/20 0.43
ALDH1A1 P00352 2/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
ERCC1 P07992 1/20 0.41
ERCC4 Q92889 1/20 0.41
EPHX2 P34913 2/20 0.40
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
KDM4E B2RXH2 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TSHR P16473 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
KRAS P01116 1/20 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
SCHEMBL6076381 0.94 RAB9A (0.56) RAB9ANPC1TP53SMN1; SMN2POLB
SCHEMBL6076725 0.81 TP53 (0.41) RAB9ANPC1TP53SMN1; SMN2POLB
SCHEMBL6075942 0.81 MEN1 (0.61) RAB9ANPC1SMN1; SMN2POLBHPGD
SCHEMBL6077387 0.80 HPGD (0.62) RAB9ANPC1SMN1; SMN2POLBHPGD
SCHEMBL6076341 0.78 TP53 (0.50) RAB9ANPC1TP53SMN1; SMN2POLB
SCHEMBL6076685 0.77 HPGD (0.56) RAB9ANPC1TP53SMN1; SMN2POLB
SCHEMBL6077124 0.76 TP53 (0.48) RAB9ANPC1TP53SMN1; SMN2HPGD
SCHEMBL6077226 0.75 ALDH1A1 (0.49) RAB9ANPC1TP53SMN1; SMN2POLB
SCHEMBL6077041 0.75 HPGD (0.51) RAB9ANPC1TP53SMN1; SMN2HPGD
SCHEMBL6076969 0.75 TP53 (0.47) RAB9ANPC1TP53SMN1; SMN2HPGD

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 5 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
US-20040138270-A1 Novel arylene-carboxylic acid (2-amino-phenyl)-amide derivatives F. HOFFMANN-LA ROCHE AG (CH) 2004-07-15 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-20040138270-A1 Novel arylene-carboxylic acid (2-amino-phenyl)-amide derivatives MKI67, API5, ACIN1 RAB9A 1502/4885NPC1 462/4885TP53 107/4885

“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.