SCHEMBL15544604

SCHEMBL15544604

O=C(Cn1cnc([N+](=O)[O-])c1)NCC(F)=C(F)F

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 1/20 0.59
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ MEN1 O00255 2/20 0.42
▸ GAA P10253 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ HTT P42858 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ POLB P06746 1/20 0.42
▸ LMNA P02545 2/20 0.41
▸ TP53 P04637 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ HIF1A Q16665 1/20 0.38
▸ PKM P14618 1/20 0.36
▸ THRB P10828 1/20 0.34
▸ CYP2C19 P33261 1/20 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
SCHEMBL15607992 0.82 TAAR1 (0.68) TAAR1L3MBTL1MEN1GAAMAPT
SCHEMBL15544085 0.81 TAAR1 (0.60) TAAR1L3MBTL1MEN1GAAMAPT
SCHEMBL15544769 0.79 TAAR1 (0.58) TAAR1L3MBTL1MEN1GAAMAPT
SCHEMBL15544015 0.78 TAAR1 (0.54) TAAR1L3MBTL1MEN1GAAMAPT
SCHEMBL2760499 0.77 TAAR1 (0.61) TAAR1L3MBTL1MEN1GAAMAPT
SCHEMBL15607832 0.74 TAAR1 (0.53) TAAR1L3MBTL1MEN1GAAMAPT
SCHEMBL19698979 0.73 L3MBTL1 (0.59) TAAR1L3MBTL1MEN1GAAMAPT
SCHEMBL12725333 0.73 TAAR1 (0.67) TAAR1L3MBTL1MEN1GAAMAPT
SCHEMBL1797696 0.72 L3MBTL1 (0.56) TAAR1L3MBTL1MEN1GAAMAPT
SCHEMBL15607853 0.72 TAAR1 (0.59) TAAR1L3MBTL1MEN1GAAMAPT

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 TAAR1 1281/4885L3MBTL1 2029/4885MEN1 2288/4885

“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.

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