SCHEMBL21635508

SCHEMBL21635508

CNc1cc(O)c(N=O)cc1C

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ ESR1 P03372 1/20 0.35
▸ GAA P10253 1/20 0.31
▸ NPC1 O15118 1/20 0.30
▸ MAPT P10636 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
SCHEMBL11744840 0.82 LMNA (0.49) HTTLMNA
SCHEMBL21635493 0.80 CYP3A4 (0.47) HTTLMNAESR1GAAMAPT
SCHEMBL3279189 0.79 MAPT (0.39) HTTLMNAESR1GAANPC1
SCHEMBL21635499 0.78 IDO1 (0.38) HTTLMNAESR1NPC1MAPT
SCHEMBL9820018 0.77 MAPT (0.42) HTTLMNAESR1GAANPC1
SCHEMBL21635518 0.74 MAPT (0.35) HTTLMNAGAANPC1MAPT
SCHEMBL14980798 0.72 HTT (0.35) HTTLMNAMAPT
SCHEMBL12722836 0.72 GSK3B (0.35) HTTLMNAESR1GAAMAPT
SCHEMBL2741245 0.70 ALDH1A1 (0.50) ESR1GAAMAPT
SCHEMBL9928433 0.69 LMNA (0.49) HTTLMNA

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 10 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
EP-3833401-A1 NERVE-SPECIFIC FLUOROPHORE FORMULATIONS FOR DIRECT AND SYSTEMIC ADMINISTRATION Oregon Health & Science University (US) 2021-06-16 — — EP disclosed
EP-3829420-A2 NEAR-INFRARED NERVE-SPARING FLUOROPHORES Oregon Health & Science University (US) 2021-06-09 — — EP disclosed
WO-2020033435-A1 NERVE-SPECIFIC FLUOROPHORE FORMULATIONS FOR DIRECT AND SYSTEMIC ADMINISTRATION OREGON HEALTH & SCIENCE UNIVERSITY (US) 2020-02-13 — — WO disclosed
WO-2020023911-A2 NEAR-INFRARED NERVE-SPARING FLUOROPHORES OREGON HEALTH & SCIENCE UNIVERSITY (US) 2020-01-30 — — WO 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 HTT 931/4885LMNA 754/4885ESR1 4030/4885
US-20210236657-A1 NERVE-SPECIFIC FLUOROPHORE FORMULATIONS FOR DIRECT AND SYSTEMIC ADMINISTRATION PFAS, NPFFR2, NPFFR1 HTT 1243/4885LMNA 1879/4885ESR1 3448/4885
US-20210317137-A1 NEAR-INFRARED NERVE-SPARING FLUOROPHORES NTRK1, NGF, SMN1; SMN2 HTT 1112/4885LMNA 444/4885ESR1 3482/4885

“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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