SCHEMBL135137

SCHEMBL135137

COC(=O)c1cccc(NCCNc2cccc(C(C)C)c2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASR P41180 3/20 0.54
ADRB2 P07550 1/20 0.54
ADRB1 P08588 1/20 0.54
ADRB3 P13945 1/20 0.54
POLB P06746 1/20 0.54
HSD17B10 Q99714 2/20 0.51
EGFR P00533 1/20 0.51
MAPK1 P28482 1/20 0.51
RAB9A P51151 4/20 0.50
PFKFB3 Q16875 1/20 0.49
PFKFB4 Q16877 1/20 0.49
HTR7 P34969 1/20 0.49
ALDH1A1 P00352 3/20 0.49
NPC1 O15118 3/20 0.48
MAPT P10636 3/20 0.48
MEN1 O00255 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48

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
SCHEMBL131563 0.86 RAB9A (0.54) CASRPOLBRAB9AALDH1A1NPC1
SCHEMBL84441 0.83 TSHR (0.53) CASRPOLBRAB9APFKFB3PFKFB4
SCHEMBL27616133 0.81 CYP4F2 (0.58) CASRADRB2ADRB1ADRB3POLB
SCHEMBL181739 0.80 RAB9A (0.59) CASRPOLBHSD17B10EGFRMAPK1
SCHEMBL16980505 0.80 SMN1; SMN2 (0.50) RAB9AHTR7MAPTMEN1KMT2A
SCHEMBL18392373 0.80 HSD17B10 (0.56) CASRPOLBHSD17B10EGFRMAPK1
SCHEMBL20096465 0.80 RAB9A (0.59) CASRPOLBHSD17B10EGFRMAPK1
SCHEMBL25933608 0.78 HTR7 (0.58) POLBHSD17B10EGFRMAPK1RAB9A
SCHEMBL18552696 0.78 POLB (0.68) CASRPOLBHSD17B10EGFRMAPK1
SCHEMBL14368018 0.78 MTNR1A (0.61) MAPTMEN1CYP1A2CYP3A4CYP2D6

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 9 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-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-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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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 CASR 2522/4885ADRB2 2795/4885ADRB1 2299/4885
US-20110130391-A1 UREIDO SUBSTITUTED BENZOIC ACID COMPOUNDS AND THEIR USE FOR NONSENSE SUPPRESSION AND THE TREATMENT OF DISEASE UPF1, VHL, URB2 CASR 2522/4885ADRB2 2795/4885ADRB1 2299/4885
US-20080275233-A1 UREIDO SUBSTITUTED BENZOIC ACID COMPOUNDS AND THEIR USE FOR NONSENSE SUPPRESSION AND THE TREATMENT OF DISEASE UPF1, VHL, URB2 CASR 2522/4885ADRB2 2795/4885ADRB1 2299/4885

“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.