SCHEMBL21036714

SCHEMBL21036714

Cc1ccc(-c2nc(-c3cccc(C(=O)O)c3)no2)c(F)c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.74
BLVRB P30043 1/20 0.74
HDAC6 Q9UBN7 1/20 0.74
RAB9A P51151 13/20 0.59
NPC1 O15118 12/20 0.59
NR1H4 Q96RI1 1/20 0.57
L3MBTL1 Q9Y468 4/20 0.56
TP53 P04637 4/20 0.52
MAPK1 P28482 2/20 0.52
HPGD P15428 2/20 0.52
TSHR P16473 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
RARA P10276 1/20 0.52
RARB P10826 1/20 0.52
RARG P13631 1/20 0.52
SMN1; SMN2 Q16637 6/20 0.51
MEN1 O00255 3/20 0.51
NFKB1 P19838 3/20 0.51
NFKB2 Q00653 3/20 0.51

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
SCHEMBL60632 0.91 HDAC6 (0.74) MAOABLVRBHDAC6RAB9ANPC1
SCHEMBL30153181 0.88 HDAC6 (0.77) MAOABLVRBHDAC6RAB9ANPC1
SCHEMBL60215 0.88 HDAC6 (0.77) MAOABLVRBHDAC6RAB9ANPC1
SCHEMBL60083 0.87 HDAC6 (0.80) MAOABLVRBHDAC6RAB9ANPC1
SCHEMBL19131020 0.86 NPC1 (0.58) MAOABLVRBHDAC6RAB9ANPC1
SCHEMBL60680 0.86 MAOA (0.74) MAOABLVRBHDAC6RAB9ANPC1
SCHEMBL60369 0.86 MAOA (0.74) MAOABLVRBHDAC6RAB9ANPC1
Ataluren SCHEMBL29365205 0.85 MAOA (1.00) MAOABLVRBHDAC6RAB9ANPC1
Ataluren SCHEMBL29360108 0.85 MAOA (1.00) MAOABLVRBHDAC6RAB9ANPC1
Ataluren SCHEMBL29361641 0.85 MAOA (1.00) MAOABLVRBHDAC6RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10959988-B2 Crystalline forms of 3-[5-(2-fluorophenyl)-[1,2,4]oxadiazol-3-yl]-benzoic acid for the treatment of disease PTC THERAPEUTICS, INC. (US) 2021-03-30 US disclosed
US-20190231754-A1 CRYSTALLINE FORMS OF 3-[5-(2-FLUOROPHENYL)-[1,2,4]OXADIAZOL-3-YL]-BENZOIC ACID FOR THE TREATMENT OF DISEASE PTC THERAPEUTICS, INC. 2019-08-01 US disclosed
US-10300047-B2 Crystalline forms of 3-[5-(2-fluorophenyl)-[1,2,4]oxadiazol-3-yl]-benzoic acid for the treatment of disease PTC THERAPEUTICS, INC. (US) 2019-05-28 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 (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-10300047-B2 Crystalline forms of 3-[5-(2-fluorophenyl)-[1,2,4]oxadiazol-3-yl]-benzoic acid for the treatment of disease UPF1, RNMT, RBM17 MAOA 2373/4885BLVRB 2669/4885HDAC6 371/4885
US-20190231754-A1 CRYSTALLINE FORMS OF 3-[5-(2-FLUOROPHENYL)-[1,2,4]OXADIAZOL-3-YL]-BENZOIC ACID FOR THE TREATMENT OF DISEASE UPF1, RNMT, RBM17 MAOA 2373/4885BLVRB 2669/4885HDAC6 371/4885
US-10959988-B2 Crystalline forms of 3-[5-(2-fluorophenyl)-[1,2,4]oxadiazol-3-yl]-benzoic acid for the treatment of disease UPF1, RNMT, RBM17 MAOA 2373/4885BLVRB 2669/4885HDAC6 371/4885

“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.