SCHEMBL3062183

SCHEMBL3062183

O=C1CSc2cc(F)c(C(=O)O)c(F)c2N1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.44
MAOA P21397 5/20 0.39
MAOB P27338 5/20 0.39
EPHX2 P34913 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
ALDH1A1 P00352 2/20 0.35
LMNA P02545 1/20 0.35
TRPV1 Q8NER1 1/20 0.34
HPGD P15428 3/20 0.33
USP2 O75604 1/20 0.33
KIF11 P52732 2/20 0.32
MGAM O43451 1/20 0.32
GAA P10253 1/20 0.32
SI P14410 1/20 0.32
GSK3A P49840 1/20 0.32
GSK3B P49841 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
GLA P06280 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CA2 P00918 1/20 0.30

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
SCHEMBL3063917 0.73 HTT (0.57) HTTMAOAMAOBEPHX2ALDH1A1
SCHEMBL3250139 0.70 PDE3B (0.46) HTTMAOAMAOBEPHX2TDP1
SCHEMBL17086109 0.69 L3MBTL1 (0.46) TDP1ALDH1A1HPGDGAAHSD17B10
SCHEMBL30186283 0.69 L3MBTL1 (0.46) TDP1ALDH1A1HPGDGAAHSD17B10
SCHEMBL4760263 0.67 HTT (0.50) HTTMAOAMAOBEPHX2ALDH1A1
SCHEMBL11275562 0.65 MAOA (0.41) HTTMAOAMAOBEPHX2ALDH1A1
SCHEMBL2433215 0.65 HTT (0.48) HTTMAOAMAOBEPHX2TDP1
SCHEMBL8994430 0.65 CA1 (0.48) HTTTDP1ALDH1A1LMNAHPGD
SCHEMBL1223787 0.64 MAOA (0.47) HTTMAOAMAOBEPHX2ALDH1A1
SCHEMBL7451837 0.64 MAOA (0.47) HTTMAOAMAOBEPHX2ALDH1A1

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8242275-B2 Bicyclic pyrazole compounds as antibacterial agents JANSSEN PHARMACEUTICA NV (BE) 2012-08-14 US claimed
US-7842810-B2 2,3-Dihydro-benzo[1,4]dioxine-6-carboxylic acid [2-(6-methoxy-quinolin-4-yl)-4,5,6,7-tetrahydro-2H-indazol-5-yl]-amide JANSSEN PHARMACEUTICA, NV (BE) 2010-11-30 US claimed
US-20100280240-A1 BICYCLIC PYRAZOLE COMPOUNDS AS ANTIBACTERIAL AGENTS ALLISON BRETT D 2010-11-04 US claimed
EP-1863483-A1 BICYCLIC PYRAZOLE COMPOUNDS AS ANTIBACTERIAL AGENTS Janssen Pharmaceutica, N.V. (BE) 2007-12-12 EP claimed
US-20060223810-A1 Bicyclic pyrazole compounds as antibacterial agents JANSSEN PHARMACEUTICA N.V. (BE) 2006-10-05 US claimed
WO-2006105289-A1 BICYCLIC PYRAZOLE COMPOUNDS AS ANTIBACTERIAL AGENTS JANSSEN PHARMACEUTICA N.V. (BE) 2006-10-05 WO claimed
US-8242275-B2 Bicyclic pyrazole compounds as antibacterial agents JANSSEN PHARMACEUTICA NV (BE) 2012-08-14 US disclosed
US-8242275-B2 Bicyclic pyrazole compounds as antibacterial agents JANSSEN PHARMACEUTICA NV (BE) 2012-08-14 US disclosed
US-8242275-B2 Bicyclic pyrazole compounds as antibacterial agents JANSSEN PHARMACEUTICA NV (BE) 2012-08-14 US disclosed
US-8232391-B2 Bicyclic pyrazole compounds as antibacterial agents JANSSEN PHARMACEUTICA NV (BE) 2012-07-31 US disclosed
US-8232391-B2 Bicyclic pyrazole compounds as antibacterial agents JANSSEN PHARMACEUTICA NV (BE) 2012-07-31 US disclosed
US-8232391-B2 Bicyclic pyrazole compounds as antibacterial agents JANSSEN PHARMACEUTICA NV (BE) 2012-07-31 US disclosed
US-7842810-B2 2,3-Dihydro-benzo[1,4]dioxine-6-carboxylic acid [2-(6-methoxy-quinolin-4-yl)-4,5,6,7-tetrahydro-2H-indazol-5-yl]-amide JANSSEN PHARMACEUTICA, NV (BE) 2010-11-30 US disclosed
US-20100274005-A1 BICYCLIC PYRAZOLE COMPOUNDS AS ANTIBACTERIAL AGENTS ALLISON BRETT D 2010-10-28 US disclosed
US-20100274005-A1 BICYCLIC PYRAZOLE COMPOUNDS AS ANTIBACTERIAL AGENTS ALLISON BRETT D 2010-10-28 US disclosed
US-20100274005-A1 BICYCLIC PYRAZOLE COMPOUNDS AS ANTIBACTERIAL AGENTS ALLISON BRETT D 2010-10-28 US disclosed
US-20100274004-A1 BICYCLIC PIRAZOLE COMPOUNDS AS ANTIBACTERIAL AGENTS ALLISON BRETT D 2010-10-28 US disclosed
EP-1863483-A1 BICYCLIC PYRAZOLE COMPOUNDS AS ANTIBACTERIAL AGENTS Janssen Pharmaceutica, N.V. (BE) 2007-12-12 EP disclosed
US-20060223810-A1 Bicyclic pyrazole compounds as antibacterial agents JANSSEN PHARMACEUTICA N.V. (BE) 2006-10-05 US disclosed
WO-2006105289-A1 BICYCLIC PYRAZOLE COMPOUNDS AS ANTIBACTERIAL AGENTS JANSSEN PHARMACEUTICA N.V. (BE) 2006-10-05 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 (4 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-20100274005-A1 BICYCLIC PYRAZOLE COMPOUNDS AS ANTIBACTERIAL AGENTS NOD2, BAK1, CASP3 HTT 4807/4885MAOA 2638/4885MAOB 2417/4885
US-20060223810-A1 Bicyclic pyrazole compounds as antibacterial agents NOD2, BAK1, CASP3 HTT 4807/4885MAOA 2638/4885MAOB 2417/4885
US-20100274004-A1 BICYCLIC PIRAZOLE COMPOUNDS AS ANTIBACTERIAL AGENTS PIR, BAK1, TMBIM6 HTT 4681/4885MAOA 1450/4885MAOB 1365/4885
US-20100280240-A1 BICYCLIC PYRAZOLE COMPOUNDS AS ANTIBACTERIAL AGENTS NOD2, BAK1, CASP3 HTT 4807/4885MAOA 2638/4885MAOB 2417/4885

“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.