SCHEMBL4603550

SCHEMBL4603550

O=[N+]([O-])c1c(F)c(F)c(F)c(Cl)c1Cl

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.43
ALDH1A1 P00352 5/20 0.38
GRIN2D O15399 2/20 0.35
GRIN3B O60391 2/20 0.35
GRIN1 Q05586 2/20 0.35
GRIN2A Q12879 2/20 0.35
GRIN2B Q13224 2/20 0.35
GRIN2C Q14957 2/20 0.35
GRIN3A Q8TCU5 2/20 0.35
TDP1 Q9NUW8 3/20 0.32
HPGD P15428 2/20 0.32
CYP3A4 P08684 1/20 0.32
ALOX15 P16050 1/20 0.32
HIF1A Q16665 1/20 0.32
TXNRD1 Q16881 1/20 0.32
TXNRD3 Q86VQ6 1/20 0.32
TXNRD2 Q9NNW7 1/20 0.32
VCP P55072 1/20 0.32
NPC1 O15118 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL4603509 0.95 TSHR (0.43) TSHRALDH1A1GRIN2DGRIN3BGRIN1
SCHEMBL8086687 0.93 TSHR (0.44) TSHRALDH1A1GRIN2DGRIN3BGRIN1
SCHEMBL4604529 0.88 TSHR (0.44) TSHRALDH1A1GRIN2DGRIN3BGRIN1
SCHEMBL9774958 0.86 TSHR (0.43) TSHRALDH1A1GRIN2DGRIN3BGRIN1
SCHEMBL4646968 0.86 TSHR (0.43) TSHRALDH1A1GRIN2DGRIN3BGRIN1
SCHEMBL28525347 0.85 TSHR (0.46) TSHRALDH1A1GRIN2DGRIN3BGRIN1
SCHEMBL30786720 0.80 GRIN2D (0.42) TSHRALDH1A1GRIN2DGRIN3BGRIN1
SCHEMBL4814058 0.80 TSHR (0.39) TSHRALDH1A1GRIN2DGRIN3BGRIN1
SCHEMBL28854521 0.80 TSHR (0.43) TSHRALDH1A1GRIN2DGRIN3BGRIN1
SCHEMBL27990736 0.80 TSHR (0.46) TSHRALDH1A1GRIN2DGRIN3BGRIN1

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 7 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

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 TSHR 570/4885ALDH1A1 833/4885GRIN2D 2968/4885
US-20020042521-A1 Nitrogen-based halogenating agents and process for preparing halogen-containing compounds AFF1, NAF1, CYP2F1 TSHR 984/4885ALDH1A1 1492/4885GRIN2D 2632/4885

“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.