SCHEMBL5713380

SCHEMBL5713380

CCN(CC)CCNC(=O)c1cc([N+](=O)[O-])ccc1I

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
KDM4E B2RXH2 2/20 0.48
HPGD P15428 1/20 0.48
LMNA P02545 4/20 0.46
TSHR P16473 2/20 0.46
ADRA2A P08913 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
DRD2 P14416 1/20 0.46
DRD3 P35462 1/20 0.46
HTR2B P41595 1/20 0.46
STAT6 P42226 1/20 0.46
KCNH2 Q12809 1/20 0.46
TP53 P04637 1/20 0.45
HTT P42858 1/20 0.45
BLM P54132 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
SLC22A2 O15244 1/20 0.44
SLC22A1 O15245 1/20 0.44
ACHE P22303 1/20 0.44

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
SCHEMBL5713303 0.88 HTT (0.54) ALDH1A1KDM4ELMNAHTTSMN1; SMN2
SCHEMBL7237555 0.82 MAPT (0.54) ALDH1A1HPGDLMNASMN1; SMN2
SCHEMBL1185108 0.81 MCHR1 (0.58) ALDH1A1LMNATSHRADRA2ACYP2D6
SCHEMBL1185861 0.80 MCHR1 (0.56) ALDH1A1KDM4EHPGDLMNATSHR
SCHEMBL3570124 0.79 LMNA (0.65) ALDH1A1KDM4ELMNATSHRKCNH2
Hydrochloric Acid SCHEMBL9053101 0.78 LMNA (0.66) ALDH1A1KDM4ELMNATSHRKCNH2
SCHEMBL1185947 0.78 MEN1 (0.49) LMNATSHRADRA2ACYP2D6CYP2C9
SCHEMBL5713365 0.77 MAPT (0.51) ALDH1A1HPGDLMNATSHRCYP2D6
SCHEMBL7037787 0.77 LMNA (0.62) ALDH1A1KDM4ELMNATSHRKCNH2
SCHEMBL17737257 0.77 MAPT (0.45) ALDH1A1LMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0973727-B8 ACTIVATED IODODERIVATIVES FOR THE TREATMENT OF CANCER AND AIDS ISOTECHNIKA INTERNATIONAL INC (BB) 2006-01-18 EP disclosed
EP-0973727-B1 ACTIVATED IODODERIVATIVES FOR THE TREATMENT OF CANCER AND AIDS ISOTECHNIKA INC (CA) 2005-10-26 EP disclosed
US-6780995-B2 VIRICIDES; ANTICANCER AGENTS ISOTECHNIKA INC. (CA) 2004-08-24 US disclosed
US-20030187015-A1 Activated iododerivatives for the treatment of cancer and aids YATSCOFF RANDALL W (CA) 2003-10-02 US disclosed
US-6511988-B2 Prevention binding of transcription factor tozinc finger binding compounds ISOTECHNIKA INC. (CA) 2003-01-28 US disclosed
US-20020019538-A1 Activated iododerivatives for the treatment of cancer and aids ISOTECHNIKA INC. (CA) 2002-02-14 US disclosed
US-6306871-B1 IODONITROBENZAMIDE DERIVATIVES AS ANTICARCINOGENIC, ANTITUMOR AGENTS AND VIRICIDES ISOTECHNIKA INC. (CA) 2001-10-23 US disclosed
US-6225323-B1 Activated iododerivatives for the treatment of cancer and AIDS JOSEPH KOZIAK (CA) 2001-05-01 US disclosed
EP-0973727-A2 ACTIVATED IODODERIVATIVES FOR THE TREATMENT OF CANCER AND AIDS ISOTECHNIKA,INC. (CA) 2000-01-26 EP disclosed
WO-1998045253-A1 ACTIVATED IODODERIVATIVES FOR THE TREATMENT OF CANCER AND AIDS ISOTECHNIKA, INC. (CA) 1998-10-15 WO 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-20020019538-A1 Activated iododerivatives for the treatment of cancer and aids IKZF3, ZC3HAV1, ZFP3 ALDH1A1 695/4885KDM4E 1328/4885HPGD 2776/4885
US-20030187015-A1 Activated iododerivatives for the treatment of cancer and aids IKZF3, ZC3HAV1, ZFP3 ALDH1A1 695/4885KDM4E 1328/4885HPGD 2776/4885

“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.