SCHEMBL10032006

SCHEMBL10032006

CCN(CC)CCn1c(NCc2nc3ccccc3n2Cc2ccccc2)nc2ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 1.00
KMT2A Q03164 4/20 1.00
HTT P42858 4/20 0.64
PKM P14618 3/20 0.64
NPSR1 Q6W5P4 2/20 0.64
LMNA P02545 2/20 0.64
ALPL P05186 1/20 0.64
TDP1 Q9NUW8 2/20 0.63
ALDH1A1 P00352 4/20 0.62
KDM4E B2RXH2 3/20 0.56
USP2 O75604 1/20 0.55
MAPT P10636 5/20 0.55
CASP3 P42574 1/20 0.54
SENP8 Q96LD8 1/20 0.54
SENP7 Q9BQF6 1/20 0.54
SENP6 Q9GZR1 1/20 0.54
TP53 P04637 3/20 0.53
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.53

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 0.83 KMT2A (0.71) MEN1KMT2AHTTPKMNPSR1
SCHEMBL10032040 0.81 KMT2A (0.68) MEN1KMT2AHTTPKMNPSR1
SCHEMBL20715319 0.80 MAPK1 (0.68) MEN1KMT2AHTTPKMNPSR1
SCHEMBL3024216 0.78 ALDH1A1 (0.73) MEN1KMT2AHTTPKMNPSR1
SCHEMBL1170660 0.77 ALDH1A1 (0.86) MEN1KMT2AHTTPKMNPSR1
SCHEMBL20715686 0.76 LMNA (0.78) MEN1KMT2AHTTPKMLMNA
Hydrochloric Acid SCHEMBL8607035 0.75 PKM (0.67) MEN1KMT2AHTTPKMLMNA
SCHEMBL28972318 0.75 ALDH1A1 (0.61) MEN1KMT2AHTTNPSR1LMNA
SCHEMBL30063611 0.75 ALDH1A1 (0.61) MEN1KMT2AHTTNPSR1LMNA
SCHEMBL30021380 0.74 MEN1 (0.68) MEN1KMT2AHTTPKMNPSR1

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 MEN1 2490/4885KMT2A 1500/4885HTT 1338/4885

“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.