SCHEMBL2470686

SCHEMBL2470686

CCOC(=O)Cn1ccc2cc(C#N)ccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.48
ALDH1A1 P00352 6/20 0.47
KDM4E B2RXH2 5/20 0.47
NPY5R Q15761 1/20 0.46
KMT2A Q03164 2/20 0.44
TSHR P16473 4/20 0.44
HSD17B10 Q99714 4/20 0.44
HPGD P15428 3/20 0.44
GLA P06280 1/20 0.44
HTT P42858 1/20 0.44
TDP1 Q9NUW8 2/20 0.43
USP2 O75604 2/20 0.43
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
FFAR4 Q5NUL3 1/20 0.43
PDCD1 Q15116 1/20 0.43
CD274 Q9NZQ7 1/20 0.43
PRMT5 O14744 1/20 0.41
ATM Q13315 1/20 0.41

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
SCHEMBL403709 0.88 TNF (0.49) MAPTNPY5RTDP1FFAR4PRMT5
SCHEMBL8029435 0.87 ATM (0.53) ALDH1A1KDM4ENPY5RKMT2ATSHR
SCHEMBL27844158 0.84 NPY5R (0.45) ALDH1A1KDM4ENPY5RKMT2ATSHR
SCHEMBL4335712 0.83 TNF (0.51) FFAR4RORC
SCHEMBL3689068 0.81 F2 (0.45) MAPTALDH1A1KDM4EKMT2AHSD17B10
SCHEMBL30396580 0.81 F2 (0.45) MAPTALDH1A1KDM4EKMT2AHSD17B10
SCHEMBL3465527 0.81 KMT2A (0.55) ALDH1A1KDM4ENPY5RKMT2ATSHR
SCHEMBL20037218 0.80 TDP1 (0.53) MAPTALDH1A1NPY5RKMT2ATSHR
SCHEMBL4483940 0.80 ATM (0.43) MAPTALDH1A1KDM4EKMT2AHSD17B10
SCHEMBL1666483 0.80 NTSR1 (0.52) MAPTALDH1A1HPGDPOLBATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022187693-A1 COVALENT CDK2-BINDING COMPOUNDS FOR THERAPEUTIC PURPOSES UMBRA THERAPEUTICS INC. (US) 2022-09-09 WO disclosed
US-20110311485-A1 1,2,4-OXADIAZOLE DERIVATIVES AND THEIR THERAPEUTIC USE ALMIRALL S.A. (ES) 2011-12-22 US disclosed
US-20110311485-A1 1,2,4-OXADIAZOLE DERIVATIVES AND THEIR THERAPEUTIC USE ALMIRALL S.A. (ES) 2011-12-22 US disclosed
CN-102264731-A 1, 2, 4 -oxadiazole derivatives and their therapeutic use 2011-11-30 CN 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
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 MAPT 3569/4885ALDH1A1 1042/4885KDM4E 3834/4885

“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.