SCHEMBL11867992

SCHEMBL11867992

Cc1ccccc1SCC(=O)NN

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.56
ALDH1A1 P00352 7/20 0.52
MAPT P10636 6/20 0.52
HPGD P15428 3/20 0.52
HSD17B10 Q99714 2/20 0.52
MEN1 O00255 5/20 0.50
KMT2A Q03164 5/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
POLB P06746 1/20 0.50
KDM4E B2RXH2 2/20 0.47
GAA P10253 2/20 0.47
LMNA P02545 1/20 0.47
OPRM1 P35372 1/20 0.47
OPRD1 P41143 1/20 0.47
MAPK1 P28482 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL11874480 0.87 ALDH1A1 (0.54) NOTUMALDH1A1MAPTHPGDHSD17B10
SCHEMBL11865738 0.84 ALDH1A1 (0.51) NOTUMALDH1A1MAPTHPGDHSD17B10
SCHEMBL15562974 0.82 MAPT (0.55) ALDH1A1MAPTHPGDHSD17B10MEN1
SCHEMBL11864053 0.81 ALDH1A1 (0.51) ALDH1A1MAPTHPGDHSD17B10MEN1
SCHEMBL15562971 0.81 ALDH1A1 (0.54) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL11215817 0.80 ALDH1A1 (0.52) NOTUMALDH1A1MAPTHSD17B10MEN1
SCHEMBL11864583 0.80 ALDH1A1 (0.56) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL11874772 0.80 LMNA (0.62) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL15562863 0.79 POLB (0.58) ALDH1A1MAPTHPGDHSD17B10MEN1
SCHEMBL11871456 0.79 MAPT (0.52) ALDH1A1MAPTHPGDMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150237857-A1 ANTIBACTERIAL INHIBITORS MCMASTER UNIVERSITY (CA) 2015-08-27 US claimed
EP-2882430-A1 ANTIBACTERIAL INHIBITORS McMaster University (CA) 2015-06-17 EP claimed
WO-2014022923-A1 ANTIBACTERIAL INHIBITORS MCMASTER UNIVERSITY (CA) 2014-02-13 WO claimed
US-20150237857-A1 ANTIBACTERIAL INHIBITORS MCMASTER UNIVERSITY (CA) 2015-08-27 US disclosed
US-20150237857-A1 ANTIBACTERIAL INHIBITORS MCMASTER UNIVERSITY (CA) 2015-08-27 US disclosed
US-20150237857-A1 ANTIBACTERIAL INHIBITORS MCMASTER UNIVERSITY (CA) 2015-08-27 US disclosed
EP-2882430-A1 ANTIBACTERIAL INHIBITORS McMaster University (CA) 2015-06-17 EP disclosed
WO-2014022923-A1 ANTIBACTERIAL INHIBITORS MCMASTER UNIVERSITY (CA) 2014-02-13 WO disclosed
WO-2014022923-A1 ANTIBACTERIAL INHIBITORS MCMASTER UNIVERSITY (CA) 2014-02-13 WO disclosed
US-3972905-A FUNGICIDE BAYER AKTIENGESELLSCHAFT (DT) 1976-08-03 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-20150237857-A1 ANTIBACTERIAL INHIBITORS MRPL21, Q6ZSR9, SPOUT1 NOTUM 3246/4885ALDH1A1 3080/4885MAPT 3540/4885

“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.