SCHEMBL21678094

SCHEMBL21678094

CC/N=c1/cc2oc3cc(NCC)ccc3nc-2cc1C

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
APP P05067 8/20 0.36
CYP1A2 P05177 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.34
MAPT P10636 2/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
STAT1 P42224 1/20 0.34
ALDH1A1 P00352 2/20 0.34
POLB P06746 2/20 0.34
KDM4E B2RXH2 2/20 0.34
HPGD P15428 1/20 0.34
CASP1 P29466 1/20 0.34
RECQL P46063 1/20 0.34
CASP7 P55210 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ELANE P08246 1/20 0.33
GAA P10253 1/20 0.32
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL23911648 1.00 APP (0.36) APPCYP1A2SMN1; SMN2MAPTNPC1
Iodide SCHEMBL10351788 0.84 RAB9A (0.36) APPCYP1A2SMN1; SMN2MAPTNPC1
Iodide SCHEMBL10351790 0.84 RAB9A (0.36) APPCYP1A2SMN1; SMN2MAPTNPC1
SCHEMBL14607913 0.83 NPC1 (0.32) SMN1; SMN2MAPTNPC1RAB9ASTAT1
SCHEMBL3676503 0.83 NPC1 (0.32) SMN1; SMN2MAPTNPC1RAB9ASTAT1
SCHEMBL13428276 0.83 NPC1 (0.32) SMN1; SMN2MAPTNPC1RAB9ASTAT1
SCHEMBL21678113 0.83 NPC1 (0.32) SMN1; SMN2MAPTNPC1RAB9ASTAT1
SCHEMBL23701680 0.83 NPC1 (0.32) SMN1; SMN2MAPTNPC1RAB9ASTAT1
SCHEMBL21678096 0.83 RAB9A (0.40) APPCYP1A2SMN1; SMN2MAPTNPC1
SCHEMBL23701721 0.83 RAB9A (0.40) APPCYP1A2SMN1; SMN2MAPTNPC1

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-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-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
WO-2020023911-A2 NEAR-INFRARED NERVE-SPARING FLUOROPHORES OREGON HEALTH & SCIENCE UNIVERSITY (US) 2020-01-30 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 (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 APP 1700/4885CYP1A2 1621/4885SMN1; SMN2 6/4885
US-20210236657-A1 NERVE-SPECIFIC FLUOROPHORE FORMULATIONS FOR DIRECT AND SYSTEMIC ADMINISTRATION PFAS, NPFFR2, NPFFR1 APP 2082/4885CYP1A2 1363/4885SMN1; SMN2 42/4885
US-20210317137-A1 NEAR-INFRARED NERVE-SPARING FLUOROPHORES NTRK1, NGF, SMN1; SMN2 APP 1824/4885CYP1A2 4547/4885SMN1; SMN2 3/4885

“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.