SCHEMBL3305482

SCHEMBL3305482

O=[C]NC(Cl)c1ccccn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 2/20 0.41
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41
NPSR1 Q6W5P4 1/20 0.40
KDM4E B2RXH2 2/20 0.38
KCNA5 P22460 5/20 0.37
TSHR P16473 2/20 0.37
KCNE1 P15382 2/20 0.37
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
KCNH2 Q12809 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
S1PR2 O95136 1/20 0.34
S1PR4 O95977 1/20 0.34
S1PR3 Q99500 1/20 0.34

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
SCHEMBL7126294 0.81 SLC6A3 (0.44) SLC6A3SLC6A2SLC6A4NPSR1KDM4E
SCHEMBL7103612 0.78 SLC6A2 (0.48) SLC6A3SLC6A2SLC6A4NPSR1KDM4E
SCHEMBL6537851 0.78 CYP1A2 (0.42) SLC6A3SLC6A2SLC6A4NPSR1KDM4E
SCHEMBL3751751 0.75 SLC6A2 (0.52) SLC6A3SLC6A2SLC6A4NPSR1KDM4E
SCHEMBL6315671 0.75 SLC6A3 (0.45) SLC6A3SLC6A2SLC6A4NPSR1KDM4E
SCHEMBL5675447 0.74 TSHR (0.44) TSHRKMT2ALMNACYP2D6
SCHEMBL16700764 0.73 ALDH1A1 (0.42) SLC6A3KDM4ETSHRCYP1A2CYP3A4
SCHEMBL478032 0.71
SCHEMBL6227535 0.71 SLC6A2 (0.54) SLC6A3SLC6A2SLC6A4NPSR1KDM4E
SCHEMBL4980374 0.70 SLC6A3 (0.48) SLC6A3SLC6A2SLC6A4NPSR1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100099676-A1 SULFONYLUREA DERIVATIVE CAPABLE OF SELECTIVELY INHIBITING MMP-13 SHIONOGI & CO., LTD. (JP) 2010-04-22 US disclosed
EP-2128134-A1 SULFONYLUREA DERIVATIVE CAPABLE OF SELECTIVELY INHIBITING MMP-13 Shionogi&Co., Ltd. (JP) 2009-12-02 EP 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-20100099676-A1 SULFONYLUREA DERIVATIVE CAPABLE OF SELECTIVELY INHIBITING MMP-13 MMP13, MMP3, MMP26 SLC6A3 794/4885SLC6A2 2710/4885SLC6A4 988/4885

“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.