SCHEMBL5310209

SCHEMBL5310209

NCC(Cn1ccnc1[N+](=O)[O-])ON

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.50
CA12 O43570 5/20 0.46
CA1 P00915 5/20 0.46
CA2 P00918 5/20 0.46
CA9 Q16790 5/20 0.46
LMNA P02545 1/20 0.42
THRB P10828 1/20 0.42
CYP2C19 P33261 1/20 0.42
TYMP P19971 3/20 0.41
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
OPRK1 P41145 1/20 0.39
MITF O75030 1/20 0.32
NOS1 P29475 1/20 0.31
CCR10 P46092 2/20 0.30

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
Hydrochloric Acid SCHEMBL5313979 0.99 KMT2A (0.49) KMT2ACA12CA1CA2CA9
Hydrochloric Acid SCHEMBL3838298 0.99 KMT2A (0.49) KMT2ACA12CA1CA2CA9
SCHEMBL1614950 0.79 KMT2A (0.67) KMT2ACA12CA1CA2CA9
SCHEMBL28336808 0.76 KMT2A (0.62) KMT2ACA12CA1CA2CA9
SCHEMBL5312809 0.76 KMT2A (0.44) KMT2ACA12CA1CA2CA9
SCHEMBL3835875 0.76 KMT2A (0.44) KMT2ACA12CA1CA2CA9
SCHEMBL12396375 0.75 KMT2A (0.78) KMT2ACA12CA1CA2CA9
SCHEMBL12396373 0.75 KMT2A (0.54) KMT2ACA12CA1CA2CA9
SCHEMBL8431954 0.73 CA12 (0.61) KMT2ACA12CA1CA2CA9
SCHEMBL14412424 0.73 KMT2A (0.66) KMT2ACA12CA1CA2CA9

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0629617-B2 Heteroatom-bearing ligands and metal complexes thereof BRACCO INT BV (NL) 2007-09-26 EP claimed
EP-1377557-B1 METHODS OF SYNTHESIZING HETEROATOM-BEARING LIGANDS AND INTERMEDIATE USED THEREFOR BRACCO INT BV (NL) 2006-04-05 EP claimed
EP-0629617-B1 Heteroatom-bearing ligands and metal complexes thereof BRACCO INT BV (NL) 1998-04-29 EP claimed
US-5741912-A DIAGNOSIS, THERAPY BRACCO INTERNATIONAL B.V. 1998-04-21 US claimed
EP-0629617-A1 Heteroatom-bearing ligands and metal complexes thereof BRACCO International B.V. (NL) 1994-12-21 EP claimed
EP-0629617-B2 Heteroatom-bearing ligands and metal complexes thereof BRACCO INT BV (NL) 2007-09-26 EP disclosed
EP-1377557-B1 METHODS OF SYNTHESIZING HETEROATOM-BEARING LIGANDS AND INTERMEDIATE USED THEREFOR BRACCO INT BV (NL) 2006-04-05 EP disclosed
US-6933391-B2 Methods of synthesizing heteroatom-bearing ligands and intermediate used therefor BRACCO INTERNATIONAL B.V. (NL) 2005-08-23 US disclosed
EP-1377557-A1 METHODS OF SYNTHESIZING HETEROATOM-BEARING LIGANDS AND INTERMEDIATE USED THEREFOR BRACCO INTERNATIONAL B.V. (NL) 2004-01-07 EP disclosed
US-20030187275-A1 Methods of synthesizing heteroatom-bearing ligands and intermediate used therefor BRACCO SUISSE SA (CH) 2003-10-02 US disclosed
US-6476234-B2 USED TO FORM METAL COMPLEXES THAT ARE USEFUL IN DIAGNOSTIC AND THERAPEUTIC APPLICATIONS BRACCO INTERNATIONAL B.V. (NL) 2002-11-05 US disclosed
US-20020143190-A1 METHODS OF SYNTHESIZING HETEROATOM-BEARING LIGANDS AND INTERMEDIATE USED THEREFOR BRACCO SUISSE SA (CH) 2002-10-03 US disclosed
WO-2002076952-A1 METHODS OF SYNTHESIZING HETEROATOM-BEARING LIGANDS AND INTERMEDIATE USED THEREFOR BRACCO INTERNATIONAL B.V. (US) 2002-10-03 WO disclosed
US-6384232-B1 RADIOLOGY, HYPOXIC TISSUE CYTOTOXINS, RADIOSENSITIZERS; REACT N-(2,3-EPOXYPROPYL)PHTHALIMIDE WITH 2-NITRO-IMIDAZOLE; 6-((2-NITRO-1H-IMIDAZOL-1-YL)METHYL)-5-OXA-4,8-DIAZA UNDECANE-2,10-DIONE DIOXIME COMPOUNDS BRACCO INTERNATIONAL B.V. (NL) 2002-05-07 US disclosed
EP-0629617-B1 Heteroatom-bearing ligands and metal complexes thereof BRACCO INT BV (NL) 1998-04-29 EP disclosed
US-5665329-A Heteroatom-bearing ligands and metal complexes thereof BRACCO INTERNATIONAL B.V. 1997-09-09 US disclosed
US-5656254-A Polyaza heteroatom-bearing ligands and metal complexes thereof for imaging or radiotherapy BRACCO INTERNATIONAL B.V. 1997-08-12 US disclosed
US-5627286-A Heteroatom-bearing ligands and metal complexes thereof BRACCO INTERNATIONAL B.V. 1997-05-06 US disclosed
US-5608110-A Heteroatom-bearing ligands and metal complexes thereof BRACCO INTERNATIONAL B.V. 1997-03-04 US disclosed
EP-0629617-A1 Heteroatom-bearing ligands and metal complexes thereof BRACCO International B.V. (NL) 1994-12-21 EP 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-20020143190-A1 METHODS OF SYNTHESIZING HETEROATOM-BEARING LIGANDS AND INTERMEDIATE USED THEREFOR WEE1, WEE2, CKMT1A; CKMT1B KMT2A 2177/4885CA12 375/4885CA1 1094/4885
US-20030187275-A1 Methods of synthesizing heteroatom-bearing ligands and intermediate used therefor WEE1, WEE2, CKMT1A; CKMT1B KMT2A 2177/4885CA12 375/4885CA1 1094/4885

“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.