SCHEMBL21635519

SCHEMBL21635519

COc1cc2c(cc1N=O)C(C)=CC(C)(C)N2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.53
▸ KDM4E B2RXH2 7/20 0.53
▸ HPGD P15428 6/20 0.53
▸ MAPT P10636 5/20 0.53
▸ HSD17B10 Q99714 4/20 0.53
▸ LMNA P02545 2/20 0.53
▸ MEN1 O00255 4/20 0.51
▸ KMT2A Q03164 4/20 0.51
▸ PGR P06401 11/20 0.46
▸ AR P10275 2/20 0.45
▸ TDP1 Q9NUW8 3/20 0.43
▸ L3MBTL1 Q9Y468 3/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ CYP3A4 P08684 2/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ ALOX12 P18054 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43

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
SCHEMBL7073387 0.76 KDM4E (0.71) ALDH1A1KDM4EHPGDMAPTHSD17B10
SCHEMBL12417556 0.75 KDM4E (0.54) ALDH1A1KDM4EHPGDMAPTHSD17B10
SCHEMBL7073759 0.70 KDM4E (1.00) ALDH1A1KDM4EHPGDMAPTHSD17B10
SCHEMBL1322296 0.69 ALDH1A1 (0.74) ALDH1A1KDM4EHPGDMAPTHSD17B10
SCHEMBL1394706 0.69 ALDH1A1 (0.97) ALDH1A1KDM4EHPGDMAPTHSD17B10
SCHEMBL9709027 0.68 ALDH1A1 (0.48) ALDH1A1KDM4EHPGDMAPTHSD17B10
Bromide SCHEMBL7802438 0.68 ALDH1A1 (0.94) ALDH1A1KDM4EHPGDMAPTHSD17B10
SCHEMBL7076359 0.68 ALDH1A1 (0.56) ALDH1A1KDM4EHPGDMAPTHSD17B10
SCHEMBL14240462 0.67 CYP3A4 (0.41) ALDH1A1KDM4EHPGDMAPTHSD17B10
SCHEMBL3523036 0.66 ALDH1A1 (0.60) ALDH1A1KDM4EHPGDMAPTHSD17B10

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 11 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-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 ALDH1A1 813/4885KDM4E 2244/4885HPGD 550/4885
US-20210236657-A1 NERVE-SPECIFIC FLUOROPHORE FORMULATIONS FOR DIRECT AND SYSTEMIC ADMINISTRATION PFAS, NPFFR2, NPFFR1 ALDH1A1 1305/4885KDM4E 3975/4885HPGD 2447/4885
US-20210317137-A1 NEAR-INFRARED NERVE-SPARING FLUOROPHORES NTRK1, NGF, SMN1; SMN2 ALDH1A1 822/4885KDM4E 4403/4885HPGD 947/4885

“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.

Send feedback