SCHEMBL2470997

SCHEMBL2470997

NC(=NO)c1cnc2c(ccn2CCC(=O)O)c1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.40
HDAC3 O15379 2/20 0.39
HDAC2 Q92769 2/20 0.39
HDAC1 Q13547 1/20 0.39
MAPT P10636 1/20 0.37
ESR1 P03372 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GLO1 Q04760 4/20 0.35
LMNA P02545 1/20 0.35
EGLN3 Q9H6Z9 1/20 0.34
PARP1 P09874 1/20 0.34

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
SCHEMBL16495760 1.00 KMO (0.40) KMOHDAC3HDAC2HDAC1MAPT
SCHEMBL2472462 0.85 MTNR1A (0.43) HDAC3HDAC2HDAC1GLO1
SCHEMBL2472486 0.85 MTNR1A (0.43) HDAC3HDAC2HDAC1GLO1
SCHEMBL13262961 0.84 TNF (0.44)
SCHEMBL16495517 0.78 PARP1 (0.39) PARP1
SCHEMBL2472560 0.78 PARP1 (0.39) PARP1
SCHEMBL1576542 0.77 KMO (0.56) KMOMAPTESR1SMN1; SMN2GLO1
SCHEMBL13262823 0.77 MTNR1A (0.40) HDAC3HDAC2HDAC1
SCHEMBL30741055 0.72 HPGDS (0.43) HDAC3HDAC2GLO1
SCHEMBL20731013 0.71 GLO1 (0.45) HDAC3HDAC2HDAC1GLO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110311485-A1 1,2,4-OXADIAZOLE DERIVATIVES AND THEIR THERAPEUTIC USE ALMIRALL S.A. (ES) 2011-12-22 US disclosed
EP-2370431-A1 1, 2, 4 -OXADIAZOLE DERIVATIVES AND THEIR THERAPEUTIC USE Almirall S.A. (ES) 2011-10-05 EP disclosed
WO-2010072352-A1 1, 2, 4 -OXADIAZOLE DERIVATIVES AND THEIR THERAPEUTIC USE ALMIRALL S.A. (ES) 2010-07-01 WO disclosed
EP-2202232-A1 1,2,4-oxadiazole derivatives and their therapeutic use Laboratorios Almirall, S.A. (ES) 2010-06-30 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 (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-20110311485-A1 1,2,4-OXADIAZOLE DERIVATIVES AND THEIR THERAPEUTIC USE S1PR1, S1PR2, S1PR3 KMO 3973/4885HDAC3 1211/4885HDAC2 1557/4885

“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.