SCHEMBL3307115

SCHEMBL3307115

CN(C)C(=O)c1cc(F)ccc1CN[C]=O

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.37
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 1/20 0.35
RIPK1 Q13546 2/20 0.35
NPC1 O15118 1/20 0.34
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34
ATM Q13315 1/20 0.33
GPR6 P46095 1/20 0.33
P2RX7 Q99572 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ACKR3 P25106 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL3307121 0.80 HTT (0.37) HTTKMT2ARIPK1NPC1CES2
SCHEMBL14067847 0.77 KMT2A (0.40) HTTKMT2AALDH1A1RIPK1NPC1
Hydrochloric Acid SCHEMBL4772671 0.76 KMT2A (0.39) HTTKMT2AALDH1A1RIPK1NPC1
SCHEMBL4762246 0.75 KDM4A (0.40) RIPK1L3MBTL1
SCHEMBL5213192 0.73 IDO1 (0.44) P2RX7SMN1; SMN2
SCHEMBL7452357 0.72 KEAP1 (0.61) HTTKMT2AALDH1A1NPC1CES2
SCHEMBL31270828 0.71 CES2 (0.61) HTTKMT2AALDH1A1RIPK1NPC1
SCHEMBL8566777 0.71 CES2 (0.61) HTTKMT2AALDH1A1RIPK1NPC1
SCHEMBL3304246 0.70 HDAC3 (0.49) HTTKMT2AALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL4158939 0.70 CES2 (0.44) HTTKMT2AALDH1A1NPC1CES2

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 3080/4885KMT2A 2238/4885ALDH1A1 469/4885

“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.