SCHEMBL15544620

SCHEMBL15544620

O=C(Cn1cccc1[N+](=O)[O-])NCC(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 1/20 0.42
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ OPRK1 P41145 1/20 0.40
▸ LMNA P02545 3/20 0.38
▸ THRB P10828 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ MEN1 O00255 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ MAPT P10636 1/20 0.35
▸ CA12 O43570 1/20 0.34
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ CA9 Q16790 1/20 0.34
▸ PPARG P37231 1/20 0.34
▸ NR2E3 Q9Y5X4 1/20 0.34
▸ NCOR2 Q9Y618 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.34

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
SCHEMBL15611334 0.90 ELANE (0.43) ELANECYP3A4CYP2D6OPRK1LMNA
SCHEMBL15544209 0.90 ELANE (0.41) ELANECYP3A4CYP2D6OPRK1LMNA
SCHEMBL15607886 0.82 LMNA (0.44) ELANECYP3A4CYP2D6OPRK1LMNA
SCHEMBL15545360 0.80 CYP3A4 (0.39) ELANECYP3A4CYP2D6OPRK1LMNA
SCHEMBL15544591 0.77 MEN1 (0.39) CYP3A4CYP2D6OPRK1LMNATHRB
SCHEMBL15544024 0.76 ELANE (0.38) ELANECYP3A4CYP2D6OPRK1LMNA
SCHEMBL15611241 0.75 LMNA (0.38) ELANECYP3A4CYP2D6OPRK1LMNA
SCHEMBL367133 0.75 LMNA (0.68) CYP3A4CYP2D6OPRK1LMNATHRB
SCHEMBL16367425 0.75 KMT2A (0.47) CYP3A4CYP2D6OPRK1LMNAMEN1
SCHEMBL15607840 0.74 LMNA (0.40) CYP3A4CYP2D6OPRK1LMNATHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150010474-A1 Compounds And Methods For Selective Imaging And/Or Ablation AUCKLAND UNISERVICES LTD (NL) 2015-01-08 — — US disclosed
US-20150010474-A1 Compounds And Methods For Selective Imaging And/Or Ablation AUCKLAND UNISERVICES LTD (NL) 2015-01-08 — — US disclosed
EP-2793871-A1 COMPOUNDS AND METHODS FOR SELECTIVE IMAGING AND/OR ABLATION Auckland Uniservices Limited (NZ) 2014-10-29 — — EP disclosed
WO-2014007650-A1 COMPOUNDS AND METHODS FOR SELECTIVE IMAGING AND/OR ABLATION AUCKLAND UNISERVICES LIMITED (NZ) 2014-01-09 — — WO disclosed
WO-2014007650-A1 COMPOUNDS AND METHODS FOR SELECTIVE IMAGING AND/OR ABLATION AUCKLAND UNISERVICES LIMITED (NZ) 2014-01-09 — — 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-20150010474-A1 Compounds And Methods For Selective Imaging And/Or Ablation CBR1, CBR3, BLVRB ELANE 1171/4885CYP3A4 180/4885CYP2D6 110/4885

“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.

Send feedback