SCHEMBL5713303

SCHEMBL5713303

CN(C)CCNC(=O)c1cc([N+](=O)[O-])ccc1I

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.54
POLB P06746 2/20 0.54
SMN1; SMN2 Q16637 3/20 0.48
TMEM97 Q5BJF2 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
CYP1A2 P05177 1/20 0.45
MAPT P10636 2/20 0.45
ALDH1A1 P00352 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
LMNA P02545 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 1/20 0.42
KDM4E B2RXH2 1/20 0.42
HSD17B10 Q99714 1/20 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
SCHEMBL5713380 0.88 ALDH1A1 (0.48) HTTSMN1; SMN2ALDH1A1LMNAKDM4E
SCHEMBL26757977 0.87 HTT (0.56) HTTPOLBSMN1; SMN2TMEM97SIGMAR1
SCHEMBL7460757 0.85 CYP1A2 (0.64) HTTPOLBSMN1; SMN2CYP1A2MAPT
SCHEMBL7237555 0.84 MAPT (0.54) POLBSMN1; SMN2MAPTALDH1A1MEN1
SCHEMBL18770223 0.84 HTT (0.53) HTTPOLBSMN1; SMN2TMEM97SIGMAR1
SCHEMBL31203036 0.83 HTT (0.67) HTTPOLBSMN1; SMN2TMEM97SIGMAR1
SCHEMBL7463468 0.81 ALDH1A1 (0.55) HTTPOLBSMN1; SMN2TMEM97SIGMAR1
SCHEMBL6111089 0.80 MCHR1 (0.53) HTTPOLBSMN1; SMN2MAPTALDH1A1
SCHEMBL7476700 0.80 HTT (0.49) HTTPOLBSMN1; SMN2TMEM97SIGMAR1
SCHEMBL20567883 0.79 ALDH1A1 (0.53) HTTPOLBSMN1; SMN2TMEM97SIGMAR1

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 HTT 4176/4885POLB 656/4885SMN1; SMN2 4497/4885
US-20030187015-A1 Activated iododerivatives for the treatment of cancer and aids IKZF3, ZC3HAV1, ZFP3 HTT 4176/4885POLB 656/4885SMN1; SMN2 4497/4885

“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.