SCHEMBL5713422

SCHEMBL5713422

Cc1ccc(-c2csc(NC(=O)c3cc([N+](=O)[O-])ccc3I)n2)cc1

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.68
MAPT P10636 9/20 0.60
MEN1 O00255 7/20 0.60
KMT2A Q03164 7/20 0.60
SMN1; SMN2 Q16637 4/20 0.60
RAB9A P51151 4/20 0.59
NPC1 O15118 3/20 0.58
GFER P55789 1/20 0.58
LMNA P02545 4/20 0.56
HTT P42858 3/20 0.55
ALDH1A1 P00352 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
KDM4E B2RXH2 2/20 0.52

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
SCHEMBL5713402 0.85 HPGD (0.63) MAPTMEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL7128929 0.81 RAB9A (0.67) POLBMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL7120002 0.78 RAB9A (0.66) POLBMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL7125386 0.78 RAB9A (0.59) POLBMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL27930260 0.78 L3MBTL1 (0.63) POLBMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL7125353 0.77 RAB9A (0.59) POLBMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL7127621 0.77 ABL1 (0.63) POLBMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL7128794 0.77 MEN1 (0.69) POLBMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL10965903 0.76 RAB9A (0.78) POLBMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL7130746 0.76 RAB9A (0.69) POLBMAPTMEN1KMT2ASMN1; 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 POLB 656/4885MAPT 4672/4885MEN1 4088/4885
US-20030187015-A1 Activated iododerivatives for the treatment of cancer and aids IKZF3, ZC3HAV1, ZFP3 POLB 656/4885MAPT 4672/4885MEN1 4088/4885

“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.