SCHEMBL6018071

SCHEMBL6018071

O=CN(c1nc2cc(OS(=O)(=O)c3ccc(NCCCN4CCCC4=O)cc3)ccc2[nH]1)C1CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.39
KDM4E B2RXH2 6/20 0.39
HPGD P15428 4/20 0.39
MAPT P10636 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
RECQL P46063 1/20 0.39
POLB P06746 3/20 0.36
HSD17B10 Q99714 4/20 0.36
MAPK1 P28482 2/20 0.36
GFER P55789 1/20 0.36
PGK1 P00558 1/20 0.35
USP2 O75604 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
KMT2A Q03164 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
DRD4 P21917 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL6017650 0.87 MCHR1 (0.35) MAPTCYP1A2CYP2C9POLBNPSR1
SCHEMBL7044189 0.84 ENPP3 (0.33) ALDH1A1KDM4EMAPT
SCHEMBL6017766 0.83 ENPP3 (0.31)
SCHEMBL6018120 0.83 ENPP3 (0.30)
SCHEMBL6017663 0.83 HTR6 (0.38) GFERKMT2A
SCHEMBL6017806 0.82 ENPP3 (0.32)
SCHEMBL6017898 0.80 KCNH3 (0.32)
SCHEMBL5037919 0.80 L3MBTL1 (0.42) ALDH1A1KDM4EHPGDMAPTCYP1A2
SCHEMBL5036606 0.80 ENPP3 (0.33) ALDH1A1KDM4EHPGDMAPTLMNA
SCHEMBL6018097 0.79 ATM (0.35) ALDH1A1KDM4EHPGDMAPTCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7041668-B2 Substituted benzimidazole compounds and their use for the treatment of cancer AVENTIS PHARMA S.A. (FR) 2006-05-09 US disclosed
US-20050014811-A1 Substituted benzimidazole compounds and their use for the treatment of cancer AVENTIS PHARMA S.A. (FR) 2005-01-20 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-20050014811-A1 Substituted benzimidazole compounds and their use for the treatment of cancer CDKL3, CCNL2, CDKL1 ALDH1A1 1134/4885KDM4E 1962/4885HPGD 3409/4885

“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.