SCHEMBL30455939

SCHEMBL30455939

Cc1nocc1OC(N)=O.[Na]

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CHRNA4 P43681 2/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL29287290 0.98 CHRNA4 (0.33) CHRNA4MEN1KMT2A
SCHEMBL755172 0.81 CHRNA4 (0.33) CHRNA4
SCHEMBL1932936 0.68
SCHEMBL16599741 0.64 GLRA3 (0.31)
SCHEMBL22426580 0.64
SCHEMBL23989470 0.64 IKBKB (0.41) KMT2A
SCHEMBL9413725 0.64 KMT2A (0.53) MEN1KMT2A
SCHEMBL1034980 0.64 LMNA (0.34) CHRNA4MEN1KMT2A
SCHEMBL7626781 0.63 MKNK1 (0.46) CHRNA4MEN1KMT2A
SCHEMBL29234047 0.63 HCRTR1 (0.33)

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240108621-A1 NOVEL USES NERRE THERAPEUTICS LIMITED (GB) 2024-04-04 US disclosed
US-11872222-B2 Uses NERRE THERAPEUTICS LIMITED (GB) 2024-01-16 US disclosed
EP-4157270-A1 NEUROKININ (NK)-1 RECEPTOR ANTAGONISTS FOR USE IN THE TREATMENT OF PULMONARY FIBROSIS CONDITIONS PROMOTED BY MECHANICAL INJURY TO THE LUNGS NeRRe Therapeutics Limited (GB) 2023-04-05 EP 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 (2 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-11872222-B2 Uses TACR1, TACR2, VIPR1 CHRNA4 479/4885MEN1 1842/4885KMT2A 3533/4885
US-20240108621-A1 NOVEL USES TACR1, NTSR1, VIPR1 CHRNA4 433/4885MEN1 2132/4885KMT2A 3273/4885

“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.