SCHEMBL23701704

SCHEMBL23701704

CCN1CCc2ccc(Oc3cc4c(cc3N=Nc3ccc([N+](=O)[O-])cc3)CCN4CC)cc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.48
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
MAPK1 P28482 2/20 0.48
NQO2 P16083 1/20 0.37
POLB P06746 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KMT2A Q03164 6/20 0.35
MEN1 O00255 5/20 0.35
ALDH1A1 P00352 4/20 0.35
HTT P42858 3/20 0.35
LMNA P02545 3/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
HRH3 Q9Y5N1 1/20 0.34
CYP1B1 Q16678 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
PPARD Q03181 2/20 0.32
HPGD P15428 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
SCHEMBL23701703 1.00 MAPT (0.48) MAPTNPC1RAB9AMAPK1NQO2
SCHEMBL16690277 0.75 MAPT (0.48) MAPTNPC1RAB9AMAPK1NQO2
SCHEMBL28762184 0.74 ROCK1 (0.48) MAPTNPC1RAB9AMAPK1KMT2A
SCHEMBL21635514 0.71 HRH3 (0.52) KMT2AMEN1ALDH1A1HRH3
SCHEMBL21635501 0.71 MEN1 (0.39) MAPTNPC1RAB9AMAPK1POLB
SCHEMBL21635504 0.71 MEN1 (0.39) MAPTNPC1RAB9AMAPK1POLB
SCHEMBL23675071 0.71 MAPT (0.41) MAPTNPC1RAB9AMAPK1NQO2
SCHEMBL23675070 0.71 MAPT (0.41) MAPTNPC1RAB9AMAPK1NQO2
SCHEMBL3355193 0.69 MAPT (0.49) MAPTNPC1RAB9AMAPK1KMT2A
SCHEMBL30168551 0.69 MAPT (0.49) MAPTNPC1RAB9AMAPK1KMT2A

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 3 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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 636/4885NPC1 3548/4885RAB9A 3295/4885
US-20210236657-A1 NERVE-SPECIFIC FLUOROPHORE FORMULATIONS FOR DIRECT AND SYSTEMIC ADMINISTRATION PFAS, NPFFR2, NPFFR1 MAPT 1093/4885NPC1 1620/4885RAB9A 1286/4885
US-20210317137-A1 NEAR-INFRARED NERVE-SPARING FLUOROPHORES NTRK1, NGF, SMN1; SMN2 MAPT 803/4885NPC1 2076/4885RAB9A 1951/4885

“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.