SCHEMBL23701708

SCHEMBL23701708

CC[N+](CC)=c1ccc2nc3ccc(N4CCCC4)cc3oc-2c1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 11/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ TERT O14746 3/20 0.36
▸ KDM4E B2RXH2 1/20 0.33
▸ KCNH2 Q12809 1/20 0.32
▸ HRH3 Q9Y5N1 1/20 0.32
▸ PARP1 P09874 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
SCHEMBL21678271 0.99 APP (0.38) APPCYP1A2TERTKCNH2HRH3
SCHEMBL25656904 0.88 TERT (0.39) APPCYP1A2TERT
SCHEMBL25171250 0.88 APP (0.38) APPCYP1A2TERTKDM4EPARP1
SCHEMBL29914640 0.88 APP (0.38) APPCYP1A2TERTKDM4EPARP1
SCHEMBL23675021 0.88 APP (0.38) APPCYP1A2TERTKDM4EPARP1
SCHEMBL14542762 0.87 APP (0.35) APPCYP1A2KDM4EPARP1
SCHEMBL23675020 0.86 APP (0.39) APPCYP1A2TERTKDM4EPARP1
SCHEMBL13295294 0.85 KDM4E (0.35) APPCYP1A2KDM4EPARP1
SCHEMBL10061229 0.84 ALDH1A1 (0.36) APPCYP1A2
SCHEMBL14542900 0.83 MAPT (0.36) 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
US-20170025620-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG ELECTRONICS CO., LTD. (KR) 2017-01-26 — — 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 (4 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 1621/4885TERT 1446/4885
US-20210236657-A1 NERVE-SPECIFIC FLUOROPHORE FORMULATIONS FOR DIRECT AND SYSTEMIC ADMINISTRATION PFAS, NPFFR2, NPFFR1 APP 2082/4885CYP1A2 1363/4885TERT 4708/4885
US-20170025620-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CRY1, CCNE1, CRY2 APP 1330/4885CYP1A2 1170/4885TERT 642/4885
US-20210317137-A1 NEAR-INFRARED NERVE-SPARING FLUOROPHORES NTRK1, NGF, SMN1; SMN2 APP 1824/4885CYP1A2 4547/4885TERT 611/4885

“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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