SCHEMBL5713383

SCHEMBL5713383

O=C(Nc1nccs1)c1cc([N+](=O)[O-])ccc1I

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 4/20 0.65
▸ MAPT P10636 3/20 0.65
▸ LMNA P02545 3/20 0.65
▸ KDM4E B2RXH2 1/20 0.65
▸ ALDH1A1 P00352 5/20 0.58
▸ KMT2A Q03164 4/20 0.58
▸ HPGD P15428 1/20 0.55
▸ GAA P10253 4/20 0.55
▸ MEN1 O00255 3/20 0.55
▸ RAB9A P51151 3/20 0.55
▸ SMN1; SMN2 Q16637 3/20 0.55
▸ MGAM O43451 2/20 0.55
▸ SI P14410 2/20 0.55
▸ MGAM2 Q2M2H8 2/20 0.55
▸ POLB P06746 1/20 0.55
▸ STAT1 P42224 1/20 0.55
▸ RECQL P46063 1/20 0.55
▸ TDP1 Q9NUW8 1/20 0.55
▸ GCK P35557 1/20 0.53
▸ HTT P42858 1/20 0.53

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
SCHEMBL4295077 0.83 ALDH1A1 (0.67) NPC1MAPTLMNAKDM4EALDH1A1
SCHEMBL4288967 0.83 LMNA (0.65) NPC1MAPTLMNAKDM4EALDH1A1
SCHEMBL5713407 0.80 NPC1 (0.64) NPC1MAPTLMNAALDH1A1KMT2A
SCHEMBL3191246 0.79 NPC1 (1.00) NPC1MAPTLMNAKDM4EALDH1A1
SCHEMBL4290443 0.79 NPC1 (0.60) NPC1MAPTLMNAKDM4EALDH1A1
SCHEMBL5713402 0.79 HPGD (0.63) NPC1MAPTLMNAKDM4EALDH1A1
SCHEMBL5713417 0.79 MITF (0.50) NPC1MAPTLMNAALDH1A1KMT2A
SCHEMBL22348661 0.78 NPC1 (0.72) NPC1MAPTLMNAKDM4EALDH1A1
SCHEMBL4286409 0.77 MAPT (0.57) NPC1MAPTLMNAKDM4EALDH1A1
SCHEMBL2642646 0.74 LMNA (0.54) NPC1MAPTLMNAKDM4EALDH1A1

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 NPC1 2948/4885MAPT 4672/4885LMNA 4399/4885
US-20030187015-A1 Activated iododerivatives for the treatment of cancer and aids IKZF3, ZC3HAV1, ZFP3 NPC1 2948/4885MAPT 4672/4885LMNA 4399/4885

“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.

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