SCHEMBL416830

SCHEMBL416830

Cc1nnc(-c2ccccc2Cl)[nH]1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.49
GAA P10253 1/20 0.49
SI P14410 1/20 0.49
MGAM2 Q2M2H8 1/20 0.49
ALDH1A1 P00352 4/20 0.49
KDM4E B2RXH2 2/20 0.49
DCUN1D1 Q96GG9 2/20 0.49
APOBEC3G Q9HC16 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
HSD11B1 P28845 3/20 0.48
NPC1 O15118 5/20 0.47
RAB9A P51151 5/20 0.47
GPR55 Q9Y2T6 1/20 0.47
POLB P06746 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
LMNA P02545 1/20 0.44
PTGES O14684 2/20 0.44
GUSB P08236 1/20 0.42
TP53 P04637 2/20 0.42

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
SCHEMBL16067358 0.85 IDO1 (0.46) MGAMGAASIMGAM2ALDH1A1
SCHEMBL420008 0.80 DCUN1D1 (0.52) GAAALDH1A1KDM4EDCUN1D1NPC1
SCHEMBL16067359 0.80 KDM4E (0.41) MGAMGAASIMGAM2KDM4E
SCHEMBL419541 0.78 HSD11B1 (0.51) GAAALDH1A1KDM4EHSD11B1NPC1
SCHEMBL31429099 0.77 NPC1 (0.47) MGAMGAASIMGAM2ALDH1A1
SCHEMBL16482027 0.74 TEK (0.38) ALDH1A1KDM4EPOLBLMNAHPGD
SCHEMBL415342 0.74 KDM4E (0.46) ALDH1A1KDM4ELMNAHPGDCYP1A2
SCHEMBL23758280 0.72 MGAM (0.55) MGAMGAASIMGAM2ALDH1A1
SCHEMBL13075505 0.72 MGAM (0.47) MGAMGAASIMGAM2ALDH1A1
SCHEMBL4238643 0.72 MKNK1 (0.39) KDM4EPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120022083-A1 SMALL MOLECULE MODULATORS OF CELL ADHESION ADHEREX TECHNOLOGIES, INC. (CA) 2012-01-26 US claimed
US-20090291967-A1 SMALL MOLECULE MODULATORS OF CELL ADHESION ADHEREX TECHNOLOGIES, INC. (CA) 2009-11-26 US claimed
US-20120022083-A1 SMALL MOLECULE MODULATORS OF CELL ADHESION ADHEREX TECHNOLOGIES, INC. (CA) 2012-01-26 US disclosed
US-20120022083-A1 SMALL MOLECULE MODULATORS OF CELL ADHESION ADHEREX TECHNOLOGIES, INC. (CA) 2012-01-26 US disclosed
US-20120022083-A1 SMALL MOLECULE MODULATORS OF CELL ADHESION ADHEREX TECHNOLOGIES, INC. (CA) 2012-01-26 US disclosed
US-20090291967-A1 SMALL MOLECULE MODULATORS OF CELL ADHESION ADHEREX TECHNOLOGIES, INC. (CA) 2009-11-26 US disclosed
US-20090291967-A1 SMALL MOLECULE MODULATORS OF CELL ADHESION ADHEREX TECHNOLOGIES, INC. (CA) 2009-11-26 US disclosed
US-20090291967-A1 SMALL MOLECULE MODULATORS OF CELL ADHESION ADHEREX TECHNOLOGIES, INC. (CA) 2009-11-26 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 (2 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-20090291967-A1 SMALL MOLECULE MODULATORS OF CELL ADHESION CDH1, EPCAM, ICAM1 MGAM 3243/4885GAA 4332/4885SI 1695/4885
US-20120022083-A1 SMALL MOLECULE MODULATORS OF CELL ADHESION CDH1, EPCAM, ICAM1 MGAM 3243/4885GAA 4332/4885SI 1695/4885

“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.