SCHEMBL4910987

SCHEMBL4910987

CCOC(=O)c1c(C)c(C#N)c2ccccn12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.61
ALDH1A1 P00352 8/20 0.53
MAPK1 P28482 5/20 0.53
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
POLB P06746 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
KDM4E B2RXH2 7/20 0.50
GAA P10253 3/20 0.50
GLA P06280 2/20 0.50
HPGD P15428 2/20 0.50
TDP1 Q9NUW8 1/20 0.48
RXFP1 Q9HBX9 2/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
CYP3A4 P08684 1/20 0.45
IDO1 P14902 1/20 0.45
HBB P68871 1/20 0.45

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
SCHEMBL9806456 0.83 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1MAPK1KMT2AMEN1
SCHEMBL9804546 0.81 NMT1 (0.48) SMN1; SMN2ALDH1A1MAPK1KMT2AMEN1
SCHEMBL4918574 0.81 KDM4E (0.54) SMN1; SMN2ALDH1A1MAPK1KMT2AMEN1
SCHEMBL17331499 0.79 ALDH1A1 (0.48) SMN1; SMN2ALDH1A1MAPK1KMT2AMEN1
SCHEMBL343728 0.78 PSEN1 (0.46) SMN1; SMN2ALDH1A1MAPK1KMT2AMEN1
SCHEMBL17331785 0.75 KDM4E (0.53) SMN1; SMN2ALDH1A1MAPK1KMT2AMEN1
SCHEMBL17339104 0.75 KDM4E (0.52) SMN1; SMN2ALDH1A1MAPK1KMT2AMEN1
SCHEMBL17331394 0.74 IDO1 (0.51) SMN1; SMN2ALDH1A1MAPK1KMT2AMEN1
SCHEMBL4967007 0.74 ALDH1A1 (0.49) SMN1; SMN2ALDH1A1MAPK1KMT2AMEN1
SCHEMBL8325573 0.74 ALDH1A1 (0.55) SMN1; SMN2ALDH1A1MAPK1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080051409-A1 Indolizine Carboxamides and Aza and Diaza Derivatives Thereof SCHWARZ PHARMA AG (DE) 2008-02-28 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-20080051409-A1 Indolizine Carboxamides and Aza and Diaza Derivatives Thereof GRIN2A, GRIN2C, GRIN1 SMN1; SMN2 3676/4885ALDH1A1 459/4885MAPK1 3217/4885

“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.