SCHEMBL3432088

SCHEMBL3432088

CCCNC(=O)Nc1cc(-c2nc(C)cs2)c(B(O)O)cn1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 4/20 0.44
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
ATG4B Q9Y4P1 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL3434576 0.86 MAPK1 (0.45) MAPK1LMNASMN1; SMN2ATG4BNPC1
SCHEMBL1429744 0.85
SCHEMBL3004530 0.79
SCHEMBL3434335 0.77 CYP2A6 (0.44) MAPK1LMNA
SCHEMBL1430222 0.77
SCHEMBL3432092 0.76 ABL1 (0.38) MAPK1LMNA
SCHEMBL1505597 0.76 MAPK1 (0.46) MAPK1
SCHEMBL1430144 0.75 MEN1 (0.44) MAPK1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL1505555 0.74 ADORA3 (0.41)
SCHEMBL3432479 0.73 MAPK1 (0.42) MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120101100-A1 HETEROCYCLIC UREA DERIVATIVES AND METHODS OF USE THEREOF-211 ASTRAZENECA AB (SE) 2012-04-26 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 (1 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-20120101100-A1 HETEROCYCLIC UREA DERIVATIVES AND METHODS OF USE THEREOF-211 UROD, UMPS, SLC14A1 MAPK1 2843/4885LMNA 2441/4885SMN1; SMN2 2886/4885

“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.