SCHEMBL2679629

SCHEMBL2679629

COc1ccccc1C1(O)C(=O)Nc2ccc(C#N)cc21

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.67
SIGMAR1 Q99720 1/20 0.43
PGR P06401 3/20 0.43
MEN1 O00255 1/20 0.42
AR P10275 1/20 0.40
STK10 O94804 1/20 0.39
CLK2 P49760 1/20 0.39
GSK3A P49840 1/20 0.39
GSK3B P49841 1/20 0.39
SLK Q9H2G2 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
BRD4 O60885 2/20 0.39
MAPK10 P53779 1/20 0.38
PDK2 Q15119 1/20 0.38
POLB P06746 1/20 0.38
CASP6 P55212 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL75146 0.87 KMT2A (0.50) KMT2APGRMEN1BRD4PDK2
SCHEMBL2496535 0.86 KMT2A (0.48) KMT2APGRARBRD4POLB
SCHEMBL2679504 0.83 KMT2A (0.47) KMT2APGRARSTK10CLK2
SCHEMBL2496912 0.82 KMT2A (0.74) KMT2ASIGMAR1MEN1BRD4POLB
SCHEMBL31317617 0.81 KMT2A (1.00) KMT2ASIGMAR1MEN1PDK2POLB
SCHEMBL2678998 0.81 KMT2A (0.72) KMT2ASIGMAR1MEN1BRD4PDK2
SCHEMBL1464565 0.81 KMT2A (0.72) KMT2ASIGMAR1MEN1POLBCASP6
SCHEMBL4589584 0.77 KMT2A (0.70) KMT2ASIGMAR1MEN1STK10GSK3A
SCHEMBL17260274 0.77 AVPR1B (0.44) KMT2APGRGSK3BBRD4
SCHEMBL2495753 0.76 KMT2A (0.64) KMT2ASIGMAR1MEN1BRD4PDK2

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-20120115842-A1 Substituted Oxindole Derivatives, Medicaments Containing Said Derivatives and Use Thereof ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2012-05-10 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-20120115842-A1 Substituted Oxindole Derivatives, Medicaments Containing Said Derivatives and Use Thereof OXTR, AVPR2, AVPR1B KMT2A 3806/4885SIGMAR1 286/4885PGR 440/4885

“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.