SCHEMBL3727466

SCHEMBL3727466

COc1cccc(C2(C(F)(F)F)N=N2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.53
ADRA2A P08913 1/20 0.44
BACE1 P56817 1/20 0.42
BACE2 Q9Y5Z0 1/20 0.42
ACHE P22303 1/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP3A4 P08684 1/20 0.40
KMT2A Q03164 1/20 0.39
GABRA1 P14867 3/20 0.39
GABRG2 P18507 3/20 0.39
GABRB3 P28472 3/20 0.39
GABRB2 P47870 2/20 0.39
ADAM17 P78536 1/20 0.39
PDK2 Q15119 2/20 0.39
DYRK1A Q13627 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39

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
SCHEMBL13259616 0.82 MAPK1 (0.48) ADRA2ABACE1CYP3A4KMT2AGABRA1
SCHEMBL22587363 0.81 ADRA2A (0.49) KDM1AADRA2AGABRA1GABRG2GABRB3
SCHEMBL13259617 0.80 CYP3A4 (0.49) ADRA2AACHEALDH1A1CYP3A4KMT2A
SCHEMBL2525541 0.77 ADRA2A (0.47) ADRA2ABACE1ACHEALDH1A1GABRA1
SCHEMBL13259619 0.76 ACHE (0.49) ADRA2AACHEALDH1A1KMT2AGABRA1
SCHEMBL3727746 0.76 KDM1A (0.49) KDM1AACHECA1CA2CA7
SCHEMBL15157577 0.74 PRSS1 (0.39) ADRA2APDK2
SCHEMBL15157918 0.73 HDAC1 (0.37) ADRA2APDK2
SCHEMBL12985400 0.73 PDK2 (0.46) ALDH1A1CYP3A4PDK2NPC1RAB9A
SCHEMBL586923 0.73 ADRA2A (0.43) KDM1AADRA2AGABRA1GABRG2GABRB3

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
CN-102746230-A Method for synthesis of 3-(3-methoxyphenyl)-3-trifluoromethyl-3H-diazirine SHENGSHI TAIKE BIOLOG MEDICAL TECHNOLOGY SUZHOU CO LTD 2012-10-24 CN disclosed
CN-102746230-A Method for synthesis of 3-(3-methoxyphenyl)-3-trifluoromethyl-3H-diazirine SHENGSHI TAIKE BIOLOG MEDICAL TECHNOLOGY SUZHOU CO LTD 2012-10-24 CN disclosed
US-20100173793-A1 PEPTIDE / PROTEIN IDENTIFICATION USING PHOTOREACTIVE CARRIERS FOR THE IMMOBILISATION OF THE LIGANDS UNIVERSITY OF WARWICK (GB) 2010-07-08 US disclosed
US-20100173793-A1 PEPTIDE / PROTEIN IDENTIFICATION USING PHOTOREACTIVE CARRIERS FOR THE IMMOBILISATION OF THE LIGANDS UNIVERSITY OF WARWICK (GB) 2010-07-08 US disclosed
EP-1926992-A2 PEPTIDE / PROTEIN IDENTIFICATION USING PHOTOREACTIVE CARRIERS FOR THE IMMOBILISATION OF THE LIGANDS THE UNIVERSITY OF WARWICK (GB) 2008-06-04 EP disclosed
WO-2007020453-A2 PEPTIDE / PROTEIN IDENTIFICATION USING PHOTOREACTIVE CARRIERS FOR THE IMMOBILISATION OF THE LIGANDS UNIVERSITY OF WARWICK (GB) 2007-02-22 WO disclosed
WO-2007020453-A2 PEPTIDE / PROTEIN IDENTIFICATION USING PHOTOREACTIVE CARRIERS FOR THE IMMOBILISATION OF THE LIGANDS UNIVERSITY OF WARWICK (GB) 2007-02-22 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-20100173793-A1 PEPTIDE / PROTEIN IDENTIFICATION USING PHOTOREACTIVE CARRIERS FOR THE IMMOBILISATION OF THE LIGANDS CLTA, CD40, DNPEP KDM1A 4286/4885ADRA2A 4467/4885BACE1 3210/4885

“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.