SCHEMBL4604303

SCHEMBL4604303

O=C(c1ccc(F)c([N+](=O)[O-])c1)c1ccc(Cl)c([N+](=O)[O-])c1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 2/20 0.81
MAPT P10636 5/20 0.63
ALDH1A1 P00352 4/20 0.63
MAPK1 P28482 4/20 0.63
LMNA P02545 3/20 0.63
RAF1 P04049 1/20 0.63
HPGD P15428 1/20 0.63
GFER P55789 1/20 0.63
PAX8 Q06710 1/20 0.63
ITGB1 P05556 1/20 0.52
ITGA5 P08648 1/20 0.52
TTR P02766 2/20 0.51
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
KDM4E B2RXH2 1/20 0.50
HTT P42858 2/20 0.49
GAA P10253 1/20 0.49
HIF1A Q16665 1/20 0.49
NPSR1 Q6W5P4 2/20 0.47
NPC1 O15118 1/20 0.47

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
SCHEMBL9307787 1.00 VCAM1 (0.81) VCAM1MAPTALDH1A1MAPK1LMNA
SCHEMBL4605109 0.90 VCAM1 (0.62) VCAM1MAPTALDH1A1MAPK1LMNA
SCHEMBL1258621 0.90 VCAM1 (1.00) VCAM1MAPTALDH1A1MAPK1LMNA
SCHEMBL332714 0.89 VCAM1 (0.63) VCAM1MAPTALDH1A1MAPK1LMNA
SCHEMBL8626465 0.89 TTR (0.62) VCAM1MAPTALDH1A1MAPK1LMNA
SCHEMBL8625340 0.89 VCAM1 (0.96) VCAM1MAPTALDH1A1MAPK1LMNA
SCHEMBL9524519 0.88 VCAM1 (0.81) VCAM1MAPTALDH1A1MAPK1LMNA
SCHEMBL10383201 0.87 VCAM1 (0.87) VCAM1MAPTALDH1A1MAPK1LMNA
SCHEMBL1467263 0.85 VCAM1 (0.68) VCAM1MAPTALDH1A1MAPK1LMNA
SCHEMBL25962653 0.85 VCAM1 (0.90) VCAM1MAPTALDH1A1MAPK1LMNA

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
EP-0895991-B1 Halogenating agent MITSUI CHEMICALS INC (JP) 2008-07-09 EP disclosed
US-6632949-B2 Difluoro-diamine methylene derivatives MITSUI CHEMICALS, INC. (JP) 2003-10-14 US disclosed
US-20030004348-A1 Halogenating agents SONODA HIROSHI (JP) 2003-01-02 US disclosed
US-6458990-B1 BIS(DIHYDROCARBYLAMINO)DIFLUOROMETHANE OR CYCLIC DERIVATIVES THEREOF; FORMING BY REACTING ALKALI METAL HALIDE WITH THE CORRESPONDING AMIDINIUM SALT; FLUORINATION OF ALCOHOLS, THIOPHENOLS, ALDEHYDES, AND KETONES MITSUI CHEMICALS, INC. (JP) 2002-10-01 US disclosed
US-20020042521-A1 Nitrogen-based halogenating agents and process for preparing halogen-containing compounds SONODA HIROSHI (JP) 2002-04-11 US disclosed
US-6329529-B1 FOR FLUORINATING OF ORGANIC COMPOUNDS, EFFICIENCY, POLLUTION CONTROL MITSUI CHEMICALS, INC. (JP) 2001-12-11 US disclosed
EP-0895991-A2 Halogenating agent Mitsui Chemicals, Inc. (JP) 1999-02-10 EP disclosed
US-4556738-A CATALYTICALLY REDUCING AND DEHALOGENATING A DINITROBENZOPHENONE MITSUI TOATSU CHEMICALS, INC. (JP) 1985-12-03 US 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-20030004348-A1 Halogenating agents AFF1, NAF1, AFF2 VCAM1 3810/4885MAPT 4532/4885ALDH1A1 833/4885
US-20020042521-A1 Nitrogen-based halogenating agents and process for preparing halogen-containing compounds AFF1, NAF1, CYP2F1 VCAM1 4109/4885MAPT 4526/4885ALDH1A1 1492/4885

“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.