SCHEMBL13082099

SCHEMBL13082099

CCN1CCOc2cc(/N=N/c3ccc([N+](=O)[O-])cc3)c(O)cc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.47
KMT2A Q03164 7/20 0.47
ALDH1A1 P00352 7/20 0.47
MEN1 O00255 6/20 0.47
NPSR1 Q6W5P4 2/20 0.47
HTT P42858 2/20 0.47
POLB P06746 2/20 0.47
LMNA P02545 1/20 0.47
NPC1 O15118 3/20 0.40
MAPK1 P28482 3/20 0.40
RAB9A P51151 3/20 0.40
CYP1B1 Q16678 1/20 0.40
NQO2 P16083 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
HPGD P15428 2/20 0.38
HSP90AA1 P07900 1/20 0.37
RECQL P46063 1/20 0.37
GAA P10253 3/20 0.35
CTSB P07858 1/20 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
SCHEMBL3766046 1.00 MAPT (0.47) MAPTKMT2AALDH1A1MEN1NPSR1
SCHEMBL15521739 0.89 MAPT (0.46) MAPTKMT2AALDH1A1MEN1NPSR1
SCHEMBL16782911 0.89 MAPT (0.46) MAPTKMT2AALDH1A1MEN1NPSR1
SCHEMBL23675071 0.86 MAPT (0.41) MAPTKMT2AALDH1A1MEN1NPSR1
SCHEMBL23675070 0.86 MAPT (0.41) MAPTKMT2AALDH1A1MEN1NPSR1
SCHEMBL25391810 0.85 MAPT (0.43) MAPTKMT2AALDH1A1MEN1NPSR1
SCHEMBL25391816 0.85 MAPT (0.43) MAPTKMT2AALDH1A1MEN1NPSR1
SCHEMBL16690277 0.80 MAPT (0.48) MAPTKMT2AALDH1A1MEN1NPSR1
SCHEMBL20862224 0.80 MAPT (0.47) MAPTKMT2AALDH1A1MEN1NPSR1
SCHEMBL5518656 0.76 ALDH1A1 (0.42) MAPTKMT2AALDH1A1MEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11492359-B2 Near-infrared nerve-sparing fluorophores OREGON HEALTH & SCIENCE UNIVERSITY (US) 2022-11-08 US disclosed
US-20210317137-A1 NEAR-INFRARED NERVE-SPARING FLUOROPHORES OREGON HEALTH & SCIENCE UNIVERSITY (US) 2021-10-14 US disclosed
US-20210236657-A1 NERVE-SPECIFIC FLUOROPHORE FORMULATIONS FOR DIRECT AND SYSTEMIC ADMINISTRATION OREGON HEALTH & SCIENCE UNIVERSITY (US) 2021-08-05 US disclosed
US-9796730-B2 Halogenated benzoxazines and their use EBERHARD KARLS UNIVERSITAET TUEBINGEN MEDIZINISCHE FAKULTAET (DE) 2017-10-24 US disclosed
US-9796730-B2 Halogenated benzoxazines and their use EBERHARD KARLS UNIVERSITAET TUEBINGEN MEDIZINISCHE FAKULTAET (DE) 2017-10-24 US disclosed
US-9796730-B2 Halogenated benzoxazines and their use EBERHARD KARLS UNIVERSITAET TUEBINGEN MEDIZINISCHE FAKULTAET (DE) 2017-10-24 US disclosed
US-20150166572-A1 HALOGENATED BENZOXAZINES AND THEIR USE EBERHARD KARLS UNIVERSITAET TUEBINGEN MEDIZINISCHE FAKULTAET (DE) 2015-06-18 US disclosed
US-20150166572-A1 HALOGENATED BENZOXAZINES AND THEIR USE EBERHARD KARLS UNIVERSITAET TUEBINGEN MEDIZINISCHE FAKULTAET (DE) 2015-06-18 US disclosed
US-20150166572-A1 HALOGENATED BENZOXAZINES AND THEIR USE EBERHARD KARLS UNIVERSITAET TUEBINGEN MEDIZINISCHE FAKULTAET (DE) 2015-06-18 US disclosed
US-8679776-B2 Activatable dyes UNIVERSITY OF MASSACHUSETTS (US) 2014-03-25 US disclosed
WO-2014032732-A1 HALOGENATED BENZOXAZINES AND USE THEREOF EBERHARD KARLS UNIVERSITÄT TÜBINGEN MEDIZINISCHE FAKULTÄT (DE) 2014-03-06 WO disclosed
US-20100297684-A1 ACTIVATIBLE DYES UNIVERSITY OF MASSACHUSETTS 2010-11-25 US 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 (5 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-11492359-B2 Near-infrared nerve-sparing fluorophores NTRK1, PMP22, GAP43 MAPT 636/4885KMT2A 2855/4885ALDH1A1 813/4885
US-20210236657-A1 NERVE-SPECIFIC FLUOROPHORE FORMULATIONS FOR DIRECT AND SYSTEMIC ADMINISTRATION PFAS, NPFFR2, NPFFR1 MAPT 1093/4885KMT2A 3779/4885ALDH1A1 1305/4885
US-20100297684-A1 ACTIVATIBLE DYES IK, MB, HMBS MAPT 3995/4885KMT2A 2859/4885ALDH1A1 856/4885
US-20210317137-A1 NEAR-INFRARED NERVE-SPARING FLUOROPHORES NTRK1, NGF, SMN1; SMN2 MAPT 803/4885KMT2A 4578/4885ALDH1A1 822/4885
US-20150166572-A1 HALOGENATED BENZOXAZINES AND THEIR USE XDH, BAZ1A, CYP4Z1 MAPT 99/4885KMT2A 992/4885ALDH1A1 819/4885

“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.