SCHEMBL2137755

SCHEMBL2137755

O=[N+]([O-])c1cc(NNF)ccc1F

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 8/20 0.55
MEN1 O00255 6/20 0.55
KMT2A Q03164 6/20 0.55
MAPT P10636 5/20 0.55
HTT P42858 3/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
CA1 P00915 1/20 0.55
MMP2 P08253 1/20 0.55
CA14 Q9ULX7 1/20 0.55
ALDH1A1 P00352 6/20 0.55
HIF1A Q16665 1/20 0.55
VCAM1 P19320 1/20 0.51
GAA P10253 2/20 0.48
RECQL P46063 1/20 0.48
TRPV1 Q8NER1 1/20 0.46
POLB P06746 1/20 0.46
MAPK1 P28482 1/20 0.45
RAB9A P51151 1/20 0.45
MCL1 Q07820 1/20 0.45
HCRTR1 O43613 1/20 0.45

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
SCHEMBL10437967 0.86 ATM (0.56) LMNAMEN1KMT2AMAPTHTT
SCHEMBL10359043 0.81 ALDH1A1 (0.44) LMNAMEN1KMT2AMAPTHTT
SCHEMBL9820882 0.81 MEN1 (0.54) LMNAMEN1KMT2AMAPTHTT
SCHEMBL7380541 0.80 LMNA (0.56) LMNAMEN1KMT2AMAPTHTT
SCHEMBL6023486 0.80 LMNA (0.56) LMNAMEN1KMT2AMAPTHTT
Hydrochloric Acid SCHEMBL27844722 0.79 LMNA (0.55) LMNAMEN1KMT2AMAPTHTT
SCHEMBL7529721 0.77 LMNA (0.54) LMNAMEN1KMT2AMAPTHTT
SCHEMBL6754385 0.77 LMNA (0.54) LMNAMEN1KMT2AMAPTHTT
SCHEMBL6717028 0.76 LMNA (0.64) LMNAMEN1KMT2AMAPTHTT
SCHEMBL2853072 0.76 LMNA (0.73) LMNAMEN1KMT2AMAPTHTT

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
US-8242278-B2 Process for producing biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-08-14 US disclosed
US-20120101278-A1 PROCESS FOR PRODUCING BIARYL COMPOUND HAGIYA KOJI (JP) 2012-04-26 US disclosed
EP-1473286-B1 PROCESS FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL CO (JP) 2009-11-04 EP disclosed
US-20090216017-A1 PROCESS FOR PRODUCING BIARYL COMPOUND HAGIYA KOJI 2009-08-27 US disclosed
US-7554000-B2 Process for producing biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-06-30 US disclosed
US-20050096471-A1 Process for producing biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-05-05 US disclosed
EP-1473286-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2004-11-03 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 (3 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-20120101278-A1 PROCESS FOR PRODUCING BIARYL COMPOUND PPOX, CAT, TYR LMNA 3829/4885MEN1 3325/4885KMT2A 575/4885
US-20090216017-A1 PROCESS FOR PRODUCING BIARYL COMPOUND PPOX, CAT, TYR LMNA 3829/4885MEN1 3325/4885KMT2A 575/4885
US-20050096471-A1 Process for producing biaryl compound PPOX, CAT, TYR LMNA 3829/4885MEN1 3325/4885KMT2A 575/4885

“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.