SCHEMBL12864495

SCHEMBL12864495

CC(C)C(=O)NCc1ccc(N(C)C)nc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERCC1 P07992 1/20 0.50
ERCC4 Q92889 1/20 0.50
KMT2A Q03164 3/20 0.43
PKM P14618 1/20 0.43
NAMPT P43490 2/20 0.42
SMO Q99835 1/20 0.41
PTGES O14684 4/20 0.41
KLKB1 P03952 1/20 0.41
KLK1 P06870 1/20 0.41
SLC40A1 Q9NP59 1/20 0.40
MEN1 O00255 2/20 0.39
LMNA P02545 2/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
AOC3 Q16853 1/20 0.38
MAPT P10636 2/20 0.38
MAPK1 P28482 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL12880102 0.83 KMT2A (0.47) KMT2ANAMPTSMOKLKB1KLK1
SCHEMBL5010821 0.81 AOC3 (0.44) KMT2APKMNAMPTKLKB1KLK1
SCHEMBL12862995 0.79 HDAC6 (0.49) NAMPTSMOPTGESKLKB1KLK1
Hydrochloric Acid SCHEMBL5013384 0.79 AOC3 (0.43) KMT2APKMNAMPTKLKB1KLK1
SCHEMBL19322926 0.79 ERCC1 (0.53) ERCC1ERCC4KMT2APKMSMO
SCHEMBL12131750 0.77 ERCC1 (0.70) ERCC1ERCC4KMT2AMEN1LMNA
SCHEMBL9911471 0.76 ERCC1 (0.57) ERCC1ERCC4KMT2AMEN1LMNA
SCHEMBL13428866 0.76 CD274 (0.40) NAMPTKLKB1KLK1SLC40A1AOC3
SCHEMBL14279029 0.75 PTGES (0.56) ERCC1ERCC4NAMPTPTGESCYP1A2
SCHEMBL4735454 0.75 L3MBTL1 (0.55) NAMPTKLKB1KLK1LMNAHTT

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-20110028509-A1 Sulfonamides MERCK SERONO SA (CH) 2011-02-03 US disclosed
US-20110028509-A1 Sulfonamides MERCK SERONO SA (CH) 2011-02-03 US 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-20110028509-A1 Sulfonamides CXCR3, CXCR2, CXCR1 ERCC1 3781/4885ERCC4 3244/4885KMT2A 1412/4885

“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.