SCHEMBL10032040

SCHEMBL10032040

CCN(CC)CCn1c(NCc2ccc(F)cc2)nc2ccccc21

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.68
MEN1 O00255 3/20 0.68
ALDH1A1 P00352 4/20 0.66
HTT P42858 3/20 0.64
TP53 P04637 4/20 0.61
MAPT P10636 3/20 0.61
SMN1; SMN2 Q16637 3/20 0.61
MAPK1 P28482 5/20 0.60
TDP1 Q9NUW8 2/20 0.60
USP2 O75604 1/20 0.58
LMNA P02545 3/20 0.58
KDM4E B2RXH2 1/20 0.58
GAA P10253 3/20 0.57
MCL1 Q07820 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
NPSR1 Q6W5P4 2/20 0.56
PKM P14618 1/20 0.55
OPRM1 P35372 1/20 0.54
OPRD1 P41143 1/20 0.54
GFER P55789 1/20 0.54

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
SCHEMBL20715587 0.88 KMT2A (0.71) KMT2AMEN1ALDH1A1HTTTP53
SCHEMBL20715319 0.82 MAPK1 (0.68) KMT2AMEN1ALDH1A1HTTTP53
SCHEMBL30063611 0.82 ALDH1A1 (0.61) KMT2AMEN1ALDH1A1HTTTP53
SCHEMBL28972318 0.82 ALDH1A1 (0.61) KMT2AMEN1ALDH1A1HTTTP53
SCHEMBL10032006 0.81 MEN1 (1.00) KMT2AMEN1ALDH1A1HTTTP53
SCHEMBL20715686 0.81 LMNA (0.78) KMT2AMEN1ALDH1A1HTTTP53
SCHEMBL3024216 0.81 ALDH1A1 (0.73) KMT2AMEN1ALDH1A1HTTTP53
SCHEMBL1169982 0.80 ALDH1A1 (0.69) KMT2AALDH1A1HTTTP53MAPT
Hydrochloric Acid SCHEMBL8607035 0.78 PKM (0.67) KMT2AMEN1ALDH1A1HTTTP53
SCHEMBL20715608 0.77 NPC1 (0.70) KMT2AMEN1ALDH1A1HTTTP53

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-20120142682-A1 ANTIVIRULENCE COMPOUNDS INHIBITING BACTERIAL MONO-ADP-RIBOSYLTRANSFERASE TOXINS UNIVERSITY OF GUELPH (CA) 2012-06-07 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-20120142682-A1 ANTIVIRULENCE COMPOUNDS INHIBITING BACTERIAL MONO-ADP-RIBOSYLTRANSFERASE TOXINS TIPARP, CD38, PARP14 KMT2A 1500/4885MEN1 2490/4885ALDH1A1 4539/4885

“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.