SCHEMBL17033346

SCHEMBL17033346

Cc1c(N)ccc(SCC(=O)NN)c1N

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
MAPT P10636 4/20 0.43
GAA P10253 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
HPGD P15428 1/20 0.43
MAPK1 P28482 1/20 0.39
LMNA P02545 3/20 0.38
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
HSD17B10 Q99714 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
SCHEMBL17032001 0.78 ALDH1A1 (0.47) ALDH1A1MEN1KMT2AMAPTGAA
SCHEMBL11874772 0.76 LMNA (0.62) ALDH1A1MEN1KMT2AMAPTGAA
SCHEMBL15562974 0.75 MAPT (0.55) ALDH1A1MEN1KMT2AMAPTGAA
SCHEMBL11867054 0.74 GAA (0.51) ALDH1A1MEN1KMT2AMAPTGAA
SCHEMBL11864583 0.73 ALDH1A1 (0.56) ALDH1A1MEN1KMT2AMAPTGAA
SCHEMBL11874480 0.73 ALDH1A1 (0.54) ALDH1A1MEN1KMT2AMAPTGAA
SCHEMBL11867992 0.72 NOTUM (0.56) ALDH1A1MEN1KMT2AMAPTGAA
SCHEMBL7750244 0.72 NPC1 (0.37) ALDH1A1MEN1KMT2AMAPTTDP1
SCHEMBL11872653 0.71 ALDH1A1 (0.51) ALDH1A1MEN1KMT2AMAPTGAA
SCHEMBL11870188 0.71 ALDH1A1 (0.50) ALDH1A1MEN1KMT2AMAPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150237857-A1 ANTIBACTERIAL INHIBITORS MCMASTER UNIVERSITY (CA) 2015-08-27 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 ALDH1A1 3080/4885MEN1 4188/4885KMT2A 4493/4885

“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.