SCHEMBL5687901

SCHEMBL5687901

C#CCOc1ccc(CCC(=O)NC(C#N)c2ccc(F)cc2)cc1OC

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.47
MEN1 O00255 3/20 0.39
P2RX7 Q99572 2/20 0.39
HDAC1 Q13547 3/20 0.39
HDAC2 Q92769 3/20 0.39
ADRB2 P07550 1/20 0.38
ADRB1 P08588 1/20 0.38
ADRB3 P13945 1/20 0.38
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
CHEK1 O14757 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL5685043 0.92 KMT2A (0.49) KMT2AMEN1P2RX7HDAC1HDAC2
SCHEMBL5685372 0.92 KMT2A (0.50) KMT2AMEN1P2RX7HDAC1HDAC2
SCHEMBL5685018 0.92 KMT2A (0.48) KMT2AMEN1P2RX7HDAC1HDAC2
SCHEMBL5686001 0.92 KMT2A (0.48) KMT2AMEN1P2RX7HDAC1HDAC2
SCHEMBL5685476 0.92 KMT2A (0.48) KMT2AMEN1P2RX7HDAC1HDAC2
SCHEMBL5685459 0.91 KMT2A (0.47) KMT2AMEN1P2RX7HDAC1HDAC2
SCHEMBL5685815 0.91 KMT2A (0.47) KMT2AMEN1P2RX7HDAC1HDAC2
SCHEMBL5688209 0.91 KMT2A (0.47) KMT2AMEN1P2RX7HDAC1HDAC2
SCHEMBL68607 0.91 KMT2A (0.47) KMT2AMEN1P2RX7HDAC1HDAC2
SCHEMBL29419114 0.91 KMT2A (0.47) KMT2AMEN1P2RX7HDAC1HDAC2

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-20060122064-A1 Amides and method for plant diseases control with the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-06-08 US disclosed
EP-1640360-A1 AMIDES AND METHOD FOR PLANT DISEASE CONTROL WITH THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-03-29 EP 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-20060122064-A1 Amides and method for plant diseases control with the same ARG1, ARGLU1, ARG2 KMT2A 1374/4885MEN1 3091/4885P2RX7 4526/4885

“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.