SCHEMBL5713417

SCHEMBL5713417

Cc1cnc(NC(=O)c2cc([N+](=O)[O-])ccc2I)s1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MITF O75030 2/20 0.50
STAT3 P40763 4/20 0.49
NPC1 O15118 7/20 0.48
RAB9A P51151 7/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
MAPT P10636 1/20 0.48
THRB P10828 1/20 0.48
MAPK9 P45984 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
ALDH1A1 P00352 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
PKM P14618 3/20 0.46
LMNA P02545 1/20 0.46

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
SCHEMBL5713407 0.87 NPC1 (0.64) STAT3NPC1RAB9AMEN1KMT2A
SCHEMBL7128930 0.86 RORC (0.59) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL31110207 0.86 STAT3 (0.54) MITFSTAT3NPC1RAB9AMEN1
SCHEMBL5713402 0.79 HPGD (0.63) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL5713383 0.79 NPC1 (0.65) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL31665194 0.76 NPC1 (0.60) MITFSTAT3NPC1RAB9AMEN1
SCHEMBL25063027 0.75 STAT3 (0.68) STAT3NPC1RAB9AMEN1KMT2A
SCHEMBL27930260 0.75 L3MBTL1 (0.63) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL30868114 0.74 NPC1 (0.44) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL5713422 0.74 POLB (0.68) NPC1RAB9AMEN1KMT2AMAPT

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 MITF 1219/4885STAT3 52/4885NPC1 2948/4885
US-20030187015-A1 Activated iododerivatives for the treatment of cancer and aids IKZF3, ZC3HAV1, ZFP3 MITF 1219/4885STAT3 52/4885NPC1 2948/4885

“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.