SCHEMBL2293987

SCHEMBL2293987

CCOC(=O)C(CC#N)c1c(F)ccc2cnc(OC)nc12

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
CTSK P43235 1/20 0.34
KMT2A Q03164 3/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
MME P08473 1/20 0.32
CYP1A2 P05177 4/20 0.32
CYP3A4 P08684 3/20 0.32
CYP2C9 P11712 3/20 0.32
CYP2C19 P33261 3/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HPGD P15428 2/20 0.31
GLA P06280 1/20 0.31
CYP2D6 P10635 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MAPK1 P28482 1/20 0.31

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
SCHEMBL2285150 0.86 ALDH1A1 (0.34) ALDH1A1KMT2ALMNAMAPTTDP1
SCHEMBL2292326 0.83 ALDH1A1 (0.34) ALDH1A1SMN1; SMN2CTSKKMT2ALMNA
SCHEMBL2291796 0.79 KMT2A (0.37) ALDH1A1KMT2ALMNAMAPTTDP1
SCHEMBL2287233 0.79 SCN9A (0.34) ALDH1A1MAPTTDP1CYP1A2CYP3A4
SCHEMBL1711913 0.78 KCNH2 (0.47) KCNH2
SCHEMBL2293261 0.72 PTGS2 (0.39) ALDH1A1SMN1; SMN2KMT2AMAPTTDP1
SCHEMBL2294669 0.71 HASPIN (0.33) CYP1A2CYP3A4CYP2C19TSHR
SCHEMBL2292765 0.66 ROCK2 (0.36) ALDH1A1SMN1; SMN2CTSKHPGDTSHR
SCHEMBL3406716 0.65 PTGS2 (0.37)
SCHEMBL2289108 0.65

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8618092-B2 Tricyclic oxazolidinone antibiotic compounds ACTELION PHARMACEUTICALS LTD. (CH) 2013-12-31 US disclosed
US-20110195961-A1 TRICYCLIC OXAZOLIDINONE ANTIBIOTIC COMPOUNDS ACTELION PHARMACEUTICALS LTD. (CH) 2011-08-11 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-20110195961-A1 TRICYCLIC OXAZOLIDINONE ANTIBIOTIC COMPOUNDS HRH3, OXA1L, HRH1 ALDH1A1 3208/4885SMN1; SMN2 4123/4885CTSK 3780/4885

“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.