SCHEMBL2472486

SCHEMBL2472486

NC(=NO)c1cnc2c(ccn2CCNC(=O)O)c1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.43
HDAC3 O15379 2/20 0.41
HDAC2 Q92769 2/20 0.41
HDAC1 Q13547 1/20 0.41
MTNR1B P49286 3/20 0.37
MAPK1 P28482 2/20 0.34
GLO1 Q04760 4/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL2472462 1.00 MTNR1A (0.43) MTNR1AHDAC3HDAC2HDAC1MTNR1B
SCHEMBL2470997 0.85 KMO (0.40) HDAC3HDAC2HDAC1GLO1
SCHEMBL16495760 0.85 KMO (0.40) HDAC3HDAC2HDAC1GLO1
SCHEMBL13262823 0.84 MTNR1A (0.40) MTNR1AHDAC3HDAC2HDAC1MTNR1B
SCHEMBL13262961 0.79 TNF (0.44)
SCHEMBL16495517 0.75 PARP1 (0.39)
SCHEMBL2472560 0.75 PARP1 (0.39)
SCHEMBL2469359 0.75 MTNR1A (0.45) MTNR1A
SCHEMBL30741055 0.70 HPGDS (0.43) HDAC3HDAC2GLO1
SCHEMBL20731013 0.69 GLO1 (0.45) MTNR1AHDAC3HDAC2HDAC1GLO1

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-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

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 MTNR1A 392/4885HDAC3 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.