SCHEMBL131787

SCHEMBL131787

COC(=O)c1cccc(NC(=O)CBr)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.64
HPGD P15428 1/20 0.64
RAB9A P51151 5/20 0.63
NPC1 O15118 3/20 0.60
CYP1A2 P05177 2/20 0.60
CYP3A4 P08684 2/20 0.60
CYP2D6 P10635 2/20 0.60
CYP2C9 P11712 2/20 0.60
CYP2C19 P33261 2/20 0.60
LMNA P02545 1/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
MAPT P10636 2/20 0.57
TP53 P04637 1/20 0.57
KMT2A Q03164 3/20 0.56
MEN1 O00255 2/20 0.56
L3MBTL1 Q9Y468 1/20 0.55
HSD17B10 Q99714 1/20 0.55
POLB P06746 1/20 0.55
HTT P42858 1/20 0.55
TSHR P16473 1/20 0.55

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
SCHEMBL6689527 0.87 KMT2A (0.73) ALDH1A1HPGDRAB9ANPC1CYP1A2
SCHEMBL9030520 0.86 L3MBTL1 (0.68) ALDH1A1HPGDRAB9ANPC1CYP1A2
SCHEMBL8548740 0.85 ALDH1A1 (0.69) ALDH1A1HPGDRAB9ANPC1CYP1A2
SCHEMBL10913181 0.84 ALDH1A1 (0.64) ALDH1A1HPGDRAB9ANPC1CYP1A2
SCHEMBL7933619 0.84 ALDH1A1 (0.64) ALDH1A1HPGDRAB9ANPC1CYP1A2
SCHEMBL24027984 0.84 ALDH1A1 (0.64) ALDH1A1HPGDRAB9ANPC1CYP1A2
SCHEMBL7467415 0.84 ALDH1A1 (0.66) ALDH1A1HPGDRAB9ANPC1CYP1A2
SCHEMBL22833046 0.83 KDM4E (0.54) ALDH1A1HPGDLMNASMN1; SMN2MAPT
SCHEMBL5197892 0.82 NPC1 (0.57) ALDH1A1RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL21765844 0.81 POLB (0.56) ALDH1A1HPGDRAB9ALMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8334313-B2 Ureido substituted benzoic acid compounds and their use for nonsense suppression and the treatment of disease PTC THERAPEUTICS, INC. (US) 2012-12-18 US disclosed
EP-1542667-B1 UREIDO SUBSTITUTED BENZOIC ACID COMPOUNDS AND THEIR USE FOR NONSENSE SUPPRESSION AND THE TREATMENT OF DISEASE PTC THERAPEUTICS INC (US) 2012-03-07 EP disclosed
US-20110130391-A1 UREIDO SUBSTITUTED BENZOIC ACID COMPOUNDS AND THEIR USE FOR NONSENSE SUPPRESSION AND THE TREATMENT OF DISEASE PTC THERAPEUTICS, INC. 2011-06-02 US disclosed
US-7902241-B2 3-[3-(4-ISOPROPYLPHENYL)-2,5-DIOXO-IMIDAZOLIDIN-1-YL]- or 2-OXO-2,3-DIHYDROIMIDAZOL-1-YL]BENZOIC ACID; modulating premature translation termination and nonsense-mediated mRNA decay; gene therapy; cystic fibrosis or Duchenne muscular dystrophy; cancer, autoimmune disease, blood disease, diabetes PTC THERAPEUTICS, INC. (US) 2011-03-08 US disclosed
US-7763656-B2 Use of Acetylamino benzoic acid compounds for nonsense suppression and the treatment of disease PTC THERAPEUTICS, INC. (US) 2010-07-27 US disclosed
US-20080275233-A1 UREIDO SUBSTITUTED BENZOIC ACID COMPOUNDS AND THEIR USE FOR NONSENSE SUPPRESSION AND THE TREATMENT OF DISEASE PTC THERAPEUTICS, INC. 2008-11-06 US disclosed
US-7405233-B2 Ureido substituted benzoic acid compounds and their use for nonsense suppression and the treatment of disease PTC THERAPEUTICS, INC. (US) 2008-07-29 US disclosed
US-20070203123-A1 Use of acetylamino benzoic acid compounds for nonsense suppression and the treatment of disease PTC THERAPEUTICS, INC. 2007-08-30 US disclosed
US-7247741-B2 Acetylamino benzoic acid compounds and their use for nonsense suppression and the treatment of disease PTC THERAPEUTICS, INC. (US) 2007-07-24 US disclosed
US-20060167263-A1 Acetylamino benzoic acid compounds and their use for nonsense suppression and the treatment of disease PTC THERAPEUTICS, INC. 2006-07-27 US disclosed
US-20060167065-A1 Ureido substituted benzoic acid compounds and their use for nonsense suppression and the treatment of disease PTC THERAPEUTICS, INC. 2006-07-27 US disclosed
EP-1542667-A2 UREIDO SUBSTITUTED BENZOIC ACID COMPOUNDS AND THEIR USE FOR NONSENSE SUPPRESSION AND THE TREATMENT OF DISEASE PTC Therapeutics, Inc. (US) 2005-06-22 EP disclosed
EP-1525185-A1 ACETYLAMINO BENZOIC ACID COMPOUNDS AND THEIR USE FOR NONSENSE SUPPRESSION AND THE TREATMENT OF DISEASE PTC Therapeutics, Inc. (US) 2005-04-27 EP disclosed
WO-2004009533-A1 ACETYLAMINO BENZOIC ACID COMPOUNDS AND THEIR USE FOR NONSENSE SUPPRESSION AND THE TREATMENT OF DISEASE PTC THERAPEUTICS, INC. (US) 2004-01-29 WO disclosed
WO-2004009558-A2 UREIDO SUBSTITUTED BENZOIC ACID COMPOUNDS, THEIR USE FOR NONSENSE SUPPRESSION AND THE TREATMENT OF DISEASES CAUSED BY SUCH MUTATIONS PTC THERAPEUTICS, INC. (US) 2004-01-29 WO disclosed
US-4102924-A REACTING ACYLAMINO-ARYLS WITH HALO-ARYLS BAYER AKTIENGESELLSCHAFT (DE) 1978-07-25 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 (5 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-20060167065-A1 Ureido substituted benzoic acid compounds and their use for nonsense suppression and the treatment of disease UPF1, VHL, URB2 ALDH1A1 1816/4885HPGD 1225/4885RAB9A 3148/4885
US-20060167263-A1 Acetylamino benzoic acid compounds and their use for nonsense suppression and the treatment of disease UPF1, NAT10, PABPC1 ALDH1A1 1866/4885HPGD 2127/4885RAB9A 2946/4885
US-20070203123-A1 Use of acetylamino benzoic acid compounds for nonsense suppression and the treatment of disease UPF1, NAT10, PABPC1 ALDH1A1 1719/4885HPGD 1723/4885RAB9A 3119/4885
US-20110130391-A1 UREIDO SUBSTITUTED BENZOIC ACID COMPOUNDS AND THEIR USE FOR NONSENSE SUPPRESSION AND THE TREATMENT OF DISEASE UPF1, VHL, URB2 ALDH1A1 1816/4885HPGD 1225/4885RAB9A 3148/4885
US-20080275233-A1 UREIDO SUBSTITUTED BENZOIC ACID COMPOUNDS AND THEIR USE FOR NONSENSE SUPPRESSION AND THE TREATMENT OF DISEASE UPF1, VHL, URB2 ALDH1A1 1816/4885HPGD 1225/4885RAB9A 3148/4885

“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.