SCHEMBL6037871

SCHEMBL6037871

O=[N+]([O-])c1[c]ccc([N+](=O)[O-])c1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.38
ATM Q13315 1/20 0.38
ALDH1A1 P00352 2/20 0.37
HIF1A Q16665 2/20 0.37
VCAM1 P19320 1/20 0.35
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
BCHE P06276 1/20 0.34
ACHE P22303 1/20 0.34
CES1 P23141 1/20 0.34
GPR35 Q9HC97 1/20 0.33
MAPT P10636 1/20 0.33
TSHR P16473 3/20 0.32
CYP3A4 P08684 2/20 0.32
TP53 P04637 1/20 0.32
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TTR P02766 1/20 0.32
CASP6 P55212 1/20 0.32

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
SCHEMBL29148497 0.78 ALDH1A1 (0.32) ALDH1A1HIF1AMAPTCA1CA14
SCHEMBL18478 0.78 TSHR (0.42) TDP1ATMALDH1A1KMT2AMEN1
SCHEMBL9789544 0.76 CYP1A2 (0.36) TDP1ALDH1A1KMT2AMEN1BCHE
SCHEMBL6676890 0.76 GPR35 (0.52) TDP1ALDH1A1HIF1AKMT2AMEN1
SCHEMBL23581895 0.76 ALDH1A1 (0.37) TDP1ATMALDH1A1HIF1AVCAM1
SCHEMBL6514635 0.76 AR (0.38) TDP1ATMALDH1A1HIF1AKMT2A
SCHEMBL18311461 0.73 TDP1 (0.56) TDP1ATMALDH1A1HIF1AVCAM1
SCHEMBL301081 0.72 TSHR (0.41) TDP1ATMALDH1A1HIF1AVCAM1
SCHEMBL301080 0.72 TDP1 (0.34) TDP1ATMALDH1A1HIF1AVCAM1
SCHEMBL1355833 0.72 ALDH1A1 (0.42) TDP1ALDH1A1KMT2AMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060165701-A1 Agents for the diagnosis and treatment of tumors that expose alerted proteins on the cell surface BRACCO IMAGING S.P.A. (IT) 2006-07-27 US disclosed
CN-1711106-A Agents for the diagnosis and treatment of tumours that expose altered proteins on the cell surface BRACCO IMAGING SPA (IT) 2005-12-21 CN disclosed
EP-1587536-A1 AGENTS FOR THE DIAGNOSIS AND TREATMENT OF TUMOURS THAT EXPOSE ALTERED PROTEINS ON THE CELL SURFACE BRACCO IMAGING S.p.A. (IT) 2005-10-26 EP disclosed
WO-2004043487-A1 AGENTS FOR THE DIAGNOSIS AND TREATMENT OF TUMOURS THAT EXPOSE ALTERED PROTEINS ON THE CELL SURFACE BRACCO IMAGING S.P.A. (IT) 2004-05-27 WO disclosed
EP-0538392-A1 3-PHENYL-5,6-DIHYDROBENZ C]ACRIDINE-7-CARBOXYLIC ACIDS AND RELATED COMPOUNDS AS IMMUNOSUPPRESIVE AGENTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1993-04-28 EP disclosed
US-5190753-A 3-phenyl-5,6-dihydrobenziciacridine-7-carboxylic acids and related compounds as immunosuppressive agents DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1993-03-02 US disclosed
US-5135934-A 3-PHENYL-5,6-DIHYDROBENZ(C) ACRIDINE-7-CARBOXYLIC ACIDS AND RELATED COMPOUNDS AS IMMUNOSUPPRESSIVE AGENTS DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1992-08-04 US disclosed
WO-1992000739-A1 3-PHENYL-5,6-DIHYDROBENZ[C]ACRIDINE-7-CARBOXYLIC ACIDS AND RELATED COMPOUNDS AS IMMUNOSUPPRESIVE AGENTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1992-01-23 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 (1 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-20060165701-A1 Agents for the diagnosis and treatment of tumors that expose alerted proteins on the cell surface CDC73, EPCAM, TP53 TDP1 3327/4885ATM 2673/4885ALDH1A1 2631/4885

“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.