SCHEMBL3307121

SCHEMBL3307121

CN(C)C(=O)c1cc(F)ccc1CNC=O

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.37
KMT2A Q03164 2/20 0.36
ACKR3 P25106 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
L3MBTL1 Q9Y468 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CXCR2 P25025 1/20 0.33
P2RX7 Q99572 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL3307115 0.80 HTT (0.37) HTTKMT2AACKR3RIPK1NPC1
SCHEMBL14067847 0.77 KMT2A (0.40) HTTKMT2ARIPK1NPC1CES2
Hydrochloric Acid SCHEMBL4772671 0.76 KMT2A (0.39) HTTKMT2ARIPK1NPC1CES2
SCHEMBL4762246 0.75 KDM4A (0.40) RIPK1L3MBTL1
SCHEMBL1740373 0.75 KMT2A (0.41) HTTKMT2AACKR3RIPK1NPC1
SCHEMBL19017833 0.73 P2RX7 (0.43) KMT2ASMN1; SMN2P2RX7POLB
SCHEMBL5541864 0.73 IDO1 (0.44) SMN1; SMN2P2RX7
SCHEMBL11530509 0.72 ERN1 (0.46) HTTKMT2ANPC1CES2CES1
SCHEMBL7452357 0.72 KEAP1 (0.61) HTTKMT2ANPC1CES2CES1
SCHEMBL8566777 0.71 CES2 (0.61) HTTKMT2ARIPK1NPC1CES2

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 2238/4885ACKR3 155/4885

“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.