SCHEMBL5786149

SCHEMBL5786149

O=C(Nc1ccccc1)c1csc(-c2ccccc2)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 1.00
MAPT P10636 5/20 0.84
ATM Q13315 2/20 0.84
NPSR1 Q6W5P4 2/20 0.84
L3MBTL1 Q9Y468 2/20 0.84
NPY1R P25929 1/20 0.84
NPY2R P49146 1/20 0.84
LMNA P02545 4/20 0.78
MEN1 O00255 3/20 0.78
KMT2A Q03164 3/20 0.78
HPGD P15428 2/20 0.78
KDM4E B2RXH2 1/20 0.78
ALDH1A1 P00352 1/20 0.78
GAA P10253 1/20 0.78
SMN1; SMN2 Q16637 1/20 0.78
IRAK4 Q9NWZ3 1/20 0.78
HDAC1 Q13547 1/20 0.72
HDAC8 Q9BY41 1/20 0.72
HDAC6 Q9UBN7 1/20 0.72
TLR7 Q9NYK1 1/20 0.68

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
SCHEMBL6628193 0.93 TDP1 (0.86) TDP1MAPTATMNPSR1L3MBTL1
SCHEMBL12789168 0.91 MAPT (1.00) TDP1MAPTATMNPSR1L3MBTL1
SCHEMBL12790096 0.90 TDP1 (0.82) TDP1MAPTATMNPSR1L3MBTL1
SCHEMBL30620397 0.90 TDP1 (0.82) TDP1MAPTATMNPSR1L3MBTL1
SCHEMBL12790014 0.87 IRAK4 (0.77) TDP1MAPTATMNPSR1L3MBTL1
SCHEMBL14108023 0.85 TDP1 (0.73) TDP1MAPTATMNPSR1L3MBTL1
SCHEMBL30081396 0.85 TDP1 (0.74) TDP1MAPTATMNPSR1L3MBTL1
SCHEMBL3054920 0.85 MAPT (0.72) TDP1MAPTATMNPSR1L3MBTL1
SCHEMBL31610089 0.83 MAPT (0.69) TDP1MAPTATMNPSR1L3MBTL1
SCHEMBL11511135 0.83 HDAC1 (0.74) TDP1MAPTATMNPSR1L3MBTL1

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-3430010-B1 5-ETHYL-4-METHYL-PYRAZOLE-3-CARBOXAMIDE DERIVATIVE HAVING ACTIVITY AS AGONIST OF TAAR HOFFMANN LA ROCHE (CH) 2020-07-15 EP disclosed
WO-2017157873-A1 5-ETHYL-4-METHYL-PYRAZOLE-3-CARBOXAMIDE DERIVATIVE HAVING ACTIVITY AS AGONIST OF TAAR F. HOFFMANN-LA ROCHE AG (CH) 2017-09-21 WO disclosed
US-20110092475-A1 2-SUBSTITUTED-ETHYNYLTHIAZOLE DERIVATIVES AND USES OF SAME H. LUNDBECK A/S (DK) 2011-04-21 US disclosed
EP-1723132-A1 EP2 RECEPTOR AGONISTS ASTERAND UK LIMITED (GB) 2006-11-22 EP disclosed
WO-2005080367-A1 EP2 RECEPTOR AGONISTS PHARMAGENE LABORATORIES LIMITED (GB) 2005-09-01 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 (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-20110092475-A1 2-SUBSTITUTED-ETHYNYLTHIAZOLE DERIVATIVES AND USES OF SAME SULT1E1, SULT2A1, SULT1A1 TDP1 3913/4885MAPT 918/4885ATM 2347/4885

“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.