SCHEMBL2470799

SCHEMBL2470799

Cc1cc(C2=CCN(C(=O)O)CC2)ccc1C#N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
QDPR P09417 3/20 0.48
SMN1; SMN2 Q16637 4/20 0.42
NAMPT P43490 2/20 0.42
KMT2A Q03164 2/20 0.42
MMP2 P08253 3/20 0.42
ADAM10 O14672 2/20 0.42
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
ALDH1A1 P00352 3/20 0.40
NPC1 O15118 2/20 0.40
ALOX15 P16050 2/20 0.40
RAB9A P51151 2/20 0.40
MEN1 O00255 1/20 0.40
TSHR P16473 1/20 0.40
KCNH2 Q12809 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
MMP3 P08254 2/20 0.40
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
CASP3 P42574 1/20 0.39

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
SCHEMBL7170827 0.93 QDPR (0.43) QDPRSMN1; SMN2NAMPTKMT2AMMP2
SCHEMBL16318395 0.85 QDPR (0.45) QDPRSMN1; SMN2NAMPTKMT2AMMP2
SCHEMBL1366521 0.84 ADAM10 (0.56) QDPRSMN1; SMN2NAMPTKMT2AMMP2
SCHEMBL25270044 0.84 CYP11B2 (0.43) NAMPTMMP2ADAM10CYP11B1CYP11B2
SCHEMBL13262740 0.84 NAMPT (0.52) QDPRNAMPTCYP11B2
SCHEMBL17395676 0.82 QDPR (0.63) QDPRSMN1; SMN2KMT2AMMP2ALDH1A1
SCHEMBL7174629 0.80 RET (0.46) NAMPT
SCHEMBL5805903 0.80 NAMPT (0.47) QDPRSMN1; SMN2NAMPTKMT2AALDH1A1
SCHEMBL16422318 0.78 QDPR (0.51) QDPRSMN1; SMN2KMT2AMMP2ALDH1A1
SCHEMBL2636676 0.77 ALDH1A1 (0.48) QDPRSMN1; SMN2NAMPTKMT2AALDH1A1

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 QDPR 2602/4885SMN1; SMN2 1494/4885NAMPT 2540/4885

“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.