SCHEMBL21710795

SCHEMBL21710795

CCNc1cc2oc3cc(=[N+](CC)CC)ccc-3nc2cc1C

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
APP P05067 5/20 0.35
CYP1A2 P05177 1/20 0.35
NPC1 O15118 2/20 0.34
MAPT P10636 2/20 0.34
RAB9A P51151 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
STAT1 P42224 1/20 0.34
CYP3A4 P08684 1/20 0.31
TSHR P16473 1/20 0.31
RECQL P46063 1/20 0.31
MEN1 O00255 1/20 0.30
POLB P06746 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
SCHEMBL23714371 0.91 APP (0.34) APPCYP1A2NPC1MAPTRAB9A
SCHEMBL23619139 0.90 APP (0.37) APPCYP1A2NPC1RAB9ASMN1; SMN2
SCHEMBL30060266 0.90 APP (0.37) APPCYP1A2NPC1RAB9ASMN1; SMN2
SCHEMBL23701702 0.89 APP (0.36) APPCYP1A2
SCHEMBL30062127 0.89 APP (0.30) APPCYP1A2
SCHEMBL21678187 0.87 APP (0.34) APPCYP1A2NPC1MAPTRAB9A
SCHEMBL21678273 0.87 APP (0.34) APPCYP1A2NPC1MAPTRAB9A
SCHEMBL23611487 0.87 APP (0.39) APPCYP1A2NPC1MAPTRAB9A
SCHEMBL30061912 0.87 APP (0.39) APPCYP1A2NPC1MAPTRAB9A
SCHEMBL23611507 0.86 APP (0.41) APPCYP1A2

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 6 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
US-20210236657-A1 NERVE-SPECIFIC FLUOROPHORE FORMULATIONS FOR DIRECT AND SYSTEMIC ADMINISTRATION OREGON HEALTH & SCIENCE UNIVERSITY (US) 2021-08-05 US disclosed
WO-2020033435-A1 NERVE-SPECIFIC FLUOROPHORE FORMULATIONS FOR DIRECT AND SYSTEMIC ADMINISTRATION OREGON HEALTH & SCIENCE UNIVERSITY (US) 2020-02-13 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 1621/4885NPC1 3548/4885
US-20210236657-A1 NERVE-SPECIFIC FLUOROPHORE FORMULATIONS FOR DIRECT AND SYSTEMIC ADMINISTRATION PFAS, NPFFR2, NPFFR1 APP 2082/4885CYP1A2 1363/4885NPC1 1620/4885
US-20210317137-A1 NEAR-INFRARED NERVE-SPARING FLUOROPHORES NTRK1, NGF, SMN1; SMN2 APP 1824/4885CYP1A2 4547/4885NPC1 2076/4885

“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.