SCHEMBL15545360

SCHEMBL15545360

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

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ OPRK1 P41145 1/20 0.39
▸ ELANE P08246 1/20 0.37
▸ LMNA P02545 2/20 0.37
▸ CYP2C19 P33261 2/20 0.37
▸ THRB P10828 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ CA12 O43570 2/20 0.34
▸ CA1 P00915 2/20 0.34
▸ CA2 P00918 2/20 0.34
▸ CA9 Q16790 2/20 0.34
▸ GAA P10253 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ PKM P14618 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32

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
SCHEMBL15607886 0.81 LMNA (0.44) CYP3A4CYP2D6OPRK1ELANELMNA
SCHEMBL15544620 0.80 ELANE (0.42) CYP3A4CYP2D6OPRK1ELANELMNA
SCHEMBL15544209 0.78 ELANE (0.41) CYP3A4CYP2D6OPRK1ELANELMNA
SCHEMBL15611334 0.78 ELANE (0.43) CYP3A4CYP2D6OPRK1ELANELMNA
SCHEMBL2832753 0.75 LMNA (0.67) CYP3A4CYP2D6OPRK1LMNACYP2C19
SCHEMBL16367425 0.74 KMT2A (0.47) CYP3A4CYP2D6OPRK1LMNAMEN1
SCHEMBL15607840 0.73 LMNA (0.40) CYP3A4CYP2D6OPRK1LMNACYP2C19
SCHEMBL16375028 0.68 L3MBTL1 (0.41) ELANELMNACYP2C19THRBKMT2A
SCHEMBL15544604 0.68 TAAR1 (0.59) LMNACYP2C19THRBMEN1KMT2A
SCHEMBL15611331 0.67 MITF (0.52) LMNAMEN1KMT2AKDM4EALDH1A1

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 CYP3A4 180/4885CYP2D6 110/4885OPRK1 973/4885

“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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