SCHEMBL1250835

SCHEMBL1250835

O=C1NC(=S)SC1=Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.71
CRHR2 Q13324 1/20 0.71
TDP1 Q9NUW8 1/20 0.68
GSK3B P49841 2/20 0.64
NAT1 P18440 5/20 0.64
CISD1 Q9NZ45 3/20 0.64
MYC P01106 2/20 0.64
MAX P61244 2/20 0.64
CA2 P00918 1/20 0.63
EPHX1 P07099 1/20 0.63
IDH1 O75874 1/20 0.61
MAOA P21397 1/20 0.60
NPC1 O15118 1/20 0.59
RAB9A P51151 1/20 0.59

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
SCHEMBL1250831 1.00 CRHBP (0.71) CRHBPCRHR2TDP1GSK3BNAT1
SCHEMBL15091291 1.00 CRHBP (0.71) CRHBPCRHR2TDP1GSK3BNAT1
SCHEMBL4834139 0.88 TDP1 (0.75) TDP1GSK3BCISD1MAOARAB9A
SCHEMBL1249111 0.88 TDP1 (0.75) TDP1GSK3BCISD1MAOARAB9A
SCHEMBL1249114 0.88 TDP1 (0.75) TDP1GSK3BCISD1MAOARAB9A
SCHEMBL13846511 0.85 NAT1 (0.68) CRHBPCRHR2NAT1CISD1MYC
SCHEMBL8309015 0.83 CRHBP (1.00) CRHBPCRHR2GSK3BNAT1CISD1
SCHEMBL8309014 0.83 CRHBP (1.00) CRHBPCRHR2GSK3BNAT1CISD1
SCHEMBL17183508 0.82 MAPT (0.84) CRHBPCRHR2GSK3BIDH1NPC1
SCHEMBL2184424 0.82 MAPT (0.84) CRHBPCRHR2GSK3BIDH1NPC1

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016077793-A1 SOS1 INHIBITORS FOR CANCER TREATMENT CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2016-05-19 WO disclosed
EP-2648046-A1 CHARGE CONTROL AGENT AND TONER USING SAME Hodogaya Chemical Co., Ltd. (JP) 2013-10-09 EP disclosed
US-20130177844-A1 CHARGE CONTROL AGENT AND TONER USING SAME HODOGAYA CHEMICAL CO., LTD. (JP) 2013-07-11 US disclosed
US-7879893-B2 Zinc binding ligand; sustained release of insulin NOVO NORDISK A/S (DK) 2011-02-01 US disclosed
US-20090123563-A1 Pharmaceutical Preparations Comprising Insulin, Zinc Ions and Zinc-Binding Ligand NOVO NORDISK A/S (DK) 2009-05-14 US disclosed
EP-1585541-B1 PHARMACEUTICAL COMPOSITIONS COMPRISING INSULIN AND LEGENDS OF INSULIN HEXAMER NOVO NORDISK AS (DK) 2007-11-14 EP disclosed
EP-1429763-B1 NOVEL LIGANDS FOR THE HisB10 Zn2+ SITES OF THE R-STATE INSULIN HEXAMER NOVO NORDISK AS (DK) 2007-05-30 EP disclosed
US-20060258561-A1 Novel NPH insulin preparations NOVO NORDISK A/S (DK) 2006-11-16 US disclosed
WO-2006082245-A1 PHARMACEUTICAL PREPARATIONS COMPRISING INSULIN, ZINC IONS AND A ZINC-BINDING LIGAND NOVO NORDISK A/S (DK) 2006-08-10 WO disclosed
US-20060069013-A1 Pharmaceutical preparations comprising acid-stabilised insulin NOVO NORDISK A/S (DK) 2006-03-30 US disclosed
US-20050065066-A1 comprising insulin and novel ligands for the HisB10 Zn2+ sites of the R-state insulin hexamer; physical and chemical stability NOVO NORDISK A/S (DK) 2005-03-24 US disclosed
WO-2004080481-A1 NOVEL NPH INSULIN PREPARATIONS NOVO NORDISK A/S (DK) 2004-09-23 WO disclosed
WO-2004080480-A1 PHARMACEUTICAL PREPARATIONS COMPRISING ACID-STABILISED INSULIN NOVO NORDISK A/S (DK) 2004-09-23 WO disclosed
WO-2004056347-A2 PHARMACEUTICAL COMPOSITIONS COMPRISING INSULIN AND LEGENDS OF INSULIN HEXAMER NOVO NORDISK A/S (DK) 2004-07-08 WO disclosed
EP-1429763-A2 NOVEL LIGANDS FOR THE HisB10 Zn2+ SITES OF THE R-STATE INSULIN HEXAMER NOVO NORDISK A/S (DK) 2004-06-23 EP disclosed
US-20030229120-A1 Novel ligands for the hisb10 zn2+ sites of the r-state insulin hexamer NOVO NORDISK A/S (DK) 2003-12-11 US disclosed
WO-2003027081-A2 NOVEL LIGANDS FOR THE HisB10 Zn2+ SITES OF THE R-STATE INSULIN HEXAMER NOVO NORDISK A/S (DK) 2003-04-03 WO disclosed
EP-0506876-A4 SUPER-HIGH CONTRAST SILVER HALIDE MATERIAL INT PAPER CO (US) 1994-08-10 EP disclosed
EP-0506876-A1 SUPER-HIGH CONTRAST SILVER HALIDE MATERIAL INTERNATIONAL PAPER COMPANY (US) 1992-10-07 EP disclosed
WO-1991009345-A1 SUPER-HIGH CONTRAST SILVER HALIDE MATERIAL INTERNATIONAL PAPER COMPANY (US) 1991-06-27 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 (5 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-20060258561-A1 Novel NPH insulin preparations IAPP, HBB, INSR CRHBP 124/4885CRHR2 1576/4885TDP1 4817/4885
US-20060069013-A1 Pharmaceutical preparations comprising acid-stabilised insulin IAPP, GPR119, INSR CRHBP 123/4885CRHR2 2192/4885TDP1 4829/4885
US-20030229120-A1 Novel ligands for the hisb10 zn2+ sites of the r-state insulin hexamer IAPP, IRS1, GPR119 CRHBP 77/4885CRHR2 1483/4885TDP1 4813/4885
US-20050065066-A1 comprising insulin and novel ligands for the HisB10 Zn2+ sites of the R-state insulin hexamer; physical and chemical stability IAPP, IRS1, INSR CRHBP 133/4885CRHR2 1651/4885TDP1 4842/4885
US-20090123563-A1 Pharmaceutical Preparations Comprising Insulin, Zinc Ions and Zinc-Binding Ligand IAPP, IRS1, HBB CRHBP 121/4885CRHR2 2442/4885TDP1 4829/4885

“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.