SCHEMBL3304141

SCHEMBL3304141

Cc1cc(CN[C]=O)nn1C

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.45
ALDH1A1 P00352 6/20 0.44
HPGD P15428 2/20 0.44
CYP3A4 P08684 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
LMNA P02545 3/20 0.43
ALOX15 P16050 1/20 0.43
BCHE P06276 1/20 0.42
KDM4E B2RXH2 3/20 0.41
USP2 O75604 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
BAZ2B Q9UIF8 1/20 0.39
POLB P06746 2/20 0.37
KMT2A Q03164 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL2237134 0.77 BCHE (0.47) HTTALDH1A1HPGDCYP3A4SMN1; SMN2
SCHEMBL19089524 0.76 HTT (0.48) HTTALDH1A1HPGDCYP3A4SMN1; SMN2
SCHEMBL1758580 0.76 BCHE (0.46) HTTALDH1A1HPGDCYP3A4SMN1; SMN2
SCHEMBL2755869 0.75 ALDH1A1 (0.60) HTTALDH1A1HPGDCYP3A4SMN1; SMN2
SCHEMBL22245536 0.74 BCHE (0.45) HTTALDH1A1HPGDCYP3A4SMN1; SMN2
SCHEMBL2264189 0.74 ALDH1A1 (0.48) HTTALDH1A1HPGDCYP3A4SMN1; SMN2
SCHEMBL13090080 0.73 BCHE (0.44) HTTALDH1A1HPGDCYP3A4SMN1; SMN2
SCHEMBL243539 0.72
SCHEMBL13870640 0.71 HTT (0.61) HTTALDH1A1HPGDCYP3A4SMN1; SMN2
SCHEMBL2631530 0.70 HTT (0.53) HTTALDH1A1HPGDCYP3A4SMN1; SMN2

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 HTT 3080/4885ALDH1A1 469/4885HPGD 2890/4885

“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.