Sugi Predict

Sugi Predict / Compounds / SCHEMBL61461

SCHEMBL61461

SCHEMBL61461

CN(C)c1ccc(ON)c(O)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.41
▸ TSHR P16473 2/20 0.41
▸ PTGS1 P23219 2/20 0.39
▸ ALOX15 P16050 3/20 0.39
▸ HSD17B10 Q99714 3/20 0.39
▸ MAOA P21397 2/20 0.38
▸ MAOB P27338 2/20 0.38
▸ KDM4E B2RXH2 3/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ KLKB1 P03952 1/20 0.37
▸ MAPK1 P28482 2/20 0.37
▸ TDP1 Q9NUW8 2/20 0.37
▸ TP53 P04637 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ THRB P10828 2/20 0.37
▸ HPGD P15428 2/20 0.37
▸ MAPT P10636 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ KCNH2 Q12809 3/20 0.36

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
SCHEMBL1598931 0.82 NQO2 (0.49) ALDH1A1TSHRALOX15KMT2ATP53
SCHEMBL15934218 0.77 KDM4E (0.42) ALDH1A1TSHRPTGS1ALOX15HSD17B10
SCHEMBL1598702 0.77 PDE4A (0.44) ALDH1A1TSHRPTGS1HSD17B10KDM4E
SCHEMBL25540950 0.73 ALDH1A1 (0.59) ALDH1A1TSHRPTGS1ALOX15HSD17B10
SCHEMBL62465 0.72 ALOX15 (0.50) ALDH1A1TSHRPTGS1ALOX15HSD17B10
SCHEMBL6954009 0.72 MAOB (0.43) ALDH1A1TSHRPTGS1MAOB
Hydrochloric Acid SCHEMBL11091263 0.71 ALOX15 (0.48) ALDH1A1TSHRPTGS1ALOX15HSD17B10
SCHEMBL1598733 0.70 TSHR (0.48) ALDH1A1TSHRPTGS1ALOX15HSD17B10
SCHEMBL1156136 0.69 MAOB (0.57) ALDH1A1TSHRALOX15HSD17B10MAOB
SCHEMBL13922319 0.68 ALDH1A1 (0.52) ALDH1A1TSHRALOX15HSD17B10KDM4E

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-20230148317-A1 OXAZINE-BASED FLUOROPHORE COMPOUNDS FOR NERVE-SPECIFIC IMAGING OREGON HEALTH & SCIENCE UNIVERSITY (US) 2023-05-11 — — US disclosed
US-8129525-B2 Long wavelength thiol-reactive fluorophores BECTON DICKINSON AND COMPANY (US) 2012-03-06 — — US disclosed
US-8071794-B2 Long wavelength thiol-reactive fluorophores BECTON, DICKINSON AND COMPANY (US) 2011-12-06 — — US disclosed
US-20110184168-A1 LONG WAVELENGTH THIOL-REACTIVE FLUOROPHORES BECTON, DICKINSON AND COMPANY (US) 2011-07-28 — — US disclosed
US-20100003763-A1 LONG WAVELENGTH THIOL-REACTIVE FLUOROPHORES BECTON, DICKINSON AND COMPANY (US) 2010-01-07 — — 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 (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-20230148317-A1 OXAZINE-BASED FLUOROPHORE COMPOUNDS FOR NERVE-SPECIFIC IMAGING GAP43, NTRK1, CHAT ALDH1A1 1300/4885TSHR 4156/4885PTGS1 3196/4885
US-20100003763-A1 LONG WAVELENGTH THIOL-REACTIVE FLUOROPHORES NUCB2, NDC1, NCBP1 ALDH1A1 1435/4885TSHR 3983/4885PTGS1 1752/4885
US-20110184168-A1 LONG WAVELENGTH THIOL-REACTIVE FLUOROPHORES NUCB2, NDC1, NCBP1 ALDH1A1 1435/4885TSHR 3983/4885PTGS1 1752/4885

“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.