SCHEMBL3724536

SCHEMBL3724536

Oc1cccc(C2(C(F)(F)F)N=N2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.43
CYP3A4 P08684 2/20 0.41
CA12 O43570 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CA2 P00918 1/20 0.41
LMNA P02545 1/20 0.41
CA5A P35218 1/20 0.41
CA9 Q16790 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CA14 Q9ULX7 1/20 0.41
CA5B Q9Y2D0 1/20 0.41
HSD17B1 P14061 2/20 0.39
HSD17B2 P37059 2/20 0.39
GABRA1 P14867 4/20 0.39
GABRG2 P18507 4/20 0.39
GABRB3 P28472 4/20 0.39
GABRB2 P47870 2/20 0.39
OPRD1 P41143 1/20 0.38
KIF11 P52732 1/20 0.37
PDK2 Q15119 2/20 0.35

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
SCHEMBL22587363 0.86 ADRA2A (0.49) ADRA2AGABRA1GABRG2GABRB3GABRB2
SCHEMBL6854538 0.77 TSHR (0.44) ADRA2ACYP3A4CA12ALDH1A1CA2
SCHEMBL2525541 0.77 ADRA2A (0.47) ADRA2AALDH1A1LMNAGABRA1GABRG2
SCHEMBL586923 0.77 ADRA2A (0.43) ADRA2AGABRA1GABRG2GABRB3GABRB2
SCHEMBL6105719 0.75 KIF11 (0.49) CYP3A4CA12ALDH1A1CA2LMNA
SCHEMBL7797061 0.75 AKR1C3 (0.44) ADRA2ACA12CA2CA9HSD17B10
SCHEMBL80368 0.74 KIF11 (0.43) ADRA2AALDH1A1GABRA1GABRG2GABRB3
SCHEMBL2525989 0.74 ADRA2A (0.42) ADRA2AALDH1A1GABRA1GABRG2GABRB3
SCHEMBL2528314 0.73 GABRA1 (0.41) ADRA2AGABRA1GABRG2GABRB3GABRB2
SCHEMBL3727466 0.73 KDM1A (0.53) ADRA2ACYP3A4ALDH1A1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013113117-A1 FLUORINATED PHOSPHONIUM IONIC SALTS LINKED TO CARBENE-PRECURSORS THE UNIVERSITY OF WESTERN ONTARIO (CA) 2013-08-08 WO 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 ADRA2A 4467/4885CYP3A4 4507/4885CA12 3601/4885

“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.