SCHEMBL19434603

SCHEMBL19434603

COc1cc(OCCOCCOCC#N)cc([N+](=O)[O-])c1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.44
LMNA P02545 4/20 0.44
MAPT P10636 4/20 0.43
HPGD P15428 2/20 0.43
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
S1PR4 O95977 1/20 0.37
VCAM1 P19320 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNA4 P43681 1/20 0.36
MAPK1 P28482 2/20 0.36
HTT P42858 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
SCHEMBL16106244 0.85 ALDH1A1 (0.49) ALDH1A1LMNAMAPTHPGDKMT2A
SCHEMBL16106495 0.85 ALDH1A1 (0.49) ALDH1A1LMNAMAPTHPGDKMT2A
SCHEMBL16150299 0.85 ALDH1A1 (0.49) ALDH1A1LMNAMAPTHPGDKMT2A
SCHEMBL15720675 0.82 ALDH1A1 (0.47) ALDH1A1LMNAMAPTHPGDKMT2A
SCHEMBL15720161 0.80 CHRNB2 (0.56) ALDH1A1LMNAMAPTHPGDKMT2A
SCHEMBL19434594 0.79 TSHR (0.36) ALDH1A1MAPTMAPK1
SCHEMBL15721030 0.79 VCAM1 (0.51) ALDH1A1LMNAMAPTHPGDKMT2A
SCHEMBL16106578 0.79 MEN1 (0.45) ALDH1A1LMNAMAPTHPGDKMT2A
SCHEMBL19434601 0.75 ALDH1A1 (0.44) ALDH1A1LMNAMAPTHPGDKMT2A
SCHEMBL5203318 0.75 VCAM1 (0.50) LMNAMAPTKMT2AMEN1L3MBTL1

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 7 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
EP-3440073-A1 KINASE INHIBITORS Topivert Pharma Limited (GB) 2019-02-13 EP 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
WO-2017174995-A1 KINASE INHIBITORS RESPIVERT LIMITED (GB) 2017-10-12 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 (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 ALDH1A1 4786/4885LMNA 4562/4885MAPT 3513/4885
US-20180305383-A1 KINASE INHIBITORS SYK, LTK, LTB4R ALDH1A1 4550/4885LMNA 4232/4885MAPT 4612/4885
US-10442828-B2 Kinase inhibitors SYK, LTK, LTB4R ALDH1A1 4550/4885LMNA 4232/4885MAPT 4612/4885
US-20170291917-A1 KINASE INHIBITORS SYK, LYN, BTK ALDH1A1 4786/4885LMNA 4562/4885MAPT 3513/4885

“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.