Sugi Predict

Sugi Predict / Compounds / SCHEMBL19434530

SCHEMBL19434530

SCHEMBL19434530

[2H]C([2H])([2H])Oc1c([N+](=O)[O-])cc(C(C)(C)C)cc1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR35 Q9HC97 1/20 0.43
▸ ALDH1A1 P00352 8/20 0.43
▸ TDP1 Q9NUW8 5/20 0.43
▸ TSHR P16473 3/20 0.43
▸ MAPK1 P28482 3/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ HTT P42858 2/20 0.38
▸ GLA P06280 1/20 0.38
▸ CASP3 P42574 1/20 0.38
▸ SENP8 Q96LD8 1/20 0.38
▸ SENP7 Q9BQF6 1/20 0.38
▸ SENP6 Q9GZR1 1/20 0.38
▸ HPGD P15428 2/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ TPMT P51580 1/20 0.36
▸ CYP3A4 P08684 3/20 0.36
▸ ALOX15 P16050 2/20 0.36
▸ HIF1A Q16665 1/20 0.36
▸ TXNRD1 Q16881 1/20 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
SCHEMBL19434519 0.89 ALDH1A1 (0.42) GPR35ALDH1A1TDP1TSHRMAPK1
SCHEMBL689862 0.87 ALDH1A1 (0.54) GPR35ALDH1A1TDP1TSHRMAPK1
SCHEMBL19434595 0.83 MAPK14 (0.42) ALDH1A1TDP1TSHRMAPK1NPC1
SCHEMBL1599772 0.79 ALDH1A1 (0.54) GPR35ALDH1A1TDP1TSHRMAPK1
SCHEMBL13376134 0.78 ALDH1A1 (0.60) GPR35ALDH1A1TDP1TSHRMAPK1
SCHEMBL16829017 0.77 TPMT (0.59) GPR35ALDH1A1TDP1TSHRMAPK1
SCHEMBL1599088 0.77 ALDH1A1 (0.48) GPR35ALDH1A1TDP1TSHRMAPK1
SCHEMBL17653060 0.77 ALDH1A1 (0.48) GPR35ALDH1A1TDP1TSHRMAPK1
SCHEMBL4047397 0.77 ALDH1A1 (0.48) GPR35ALDH1A1TDP1TSHRMAPK1
SCHEMBL689445 0.77 ALDH1A1 (0.48) GPR35ALDH1A1TDP1TSHRMAPK1

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
EP-3440073-B1 KINASE INHIBITORS OXULAR ACQUISITIONS LTD (GB) 2022-06-08 — — EP disclosed
US-10442828-B2 Kinase inhibitors TOPIVERT PHARMA LIMITED (GB) 2019-10-15 — — US disclosed
US-20180305383-A1 KINASE INHIBITORS OXULAR ACQUISITIONS LIMITED (GB) 2018-10-25 — — US disclosed
US-10072034-B2 Kinase inhibitors RESPIVERT LIMITED (GB) 2018-09-11 — — US disclosed
US-20170291917-A1 KINASE INHIBITORS OXULAR ACQUISITIONS LIMITED (GB) 2017-10-12 — — 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-10072034-B2 Kinase inhibitors SYK, LYN, BTK GPR35 827/4885ALDH1A1 4786/4885TDP1 1403/4885
US-20180305383-A1 KINASE INHIBITORS SYK, LTK, LTB4R GPR35 946/4885ALDH1A1 4550/4885TDP1 1338/4885
US-10442828-B2 Kinase inhibitors SYK, LTK, LTB4R GPR35 946/4885ALDH1A1 4550/4885TDP1 1338/4885
US-20170291917-A1 KINASE INHIBITORS SYK, LYN, BTK GPR35 827/4885ALDH1A1 4786/4885TDP1 1403/4885

“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.