SCHEMBL4244777

SCHEMBL4244777

O=C(Nc1ccc(-n2cccn2)cc1)C1=C(O)CC(C2CCCCC2)NC1=O

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 1/20 0.39
ADRB2 P07550 1/20 0.38
KMT2A Q03164 2/20 0.37
TBK1 Q9UHD2 1/20 0.36
F10 P00742 1/20 0.36
SYK P43405 2/20 0.36
HDAC4 P56524 1/20 0.36
CHRM1 P11229 5/20 0.35
HRH3 Q9Y5N1 1/20 0.35
TP53 P04637 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34

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
SCHEMBL4246052 0.84 PORCN (0.41) KMT2AHDAC4
SCHEMBL4237397 0.82 MAPT (0.46) KMT2ATP53KDM4EALDH1A1
SCHEMBL4248174 0.82 HDAC4 (0.47) ADRB2KMT2ATBK1F10HDAC4
SCHEMBL4246914 0.81 MAPT (0.43) KMT2A
SCHEMBL4246135 0.80 ALDH1A1 (0.52) KMT2ATP53KDM4EALDH1A1
SCHEMBL4245288 0.79 DEGS1 (0.51) KMT2AALDH1A1
SCHEMBL13743971 0.79 CHEK2 (0.44) CHEK2ADRB2KMT2ATBK1F10
SCHEMBL13743531 0.79 KMT2A (0.38) ADRB2KMT2ATBK1F10SYK
SCHEMBL4246968 0.77 EPHX1 (0.48) KMT2ATP53ALDH1A1
SCHEMBL4244100 0.77 RXFP1 (0.47) KMT2ATP53RXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090203694-A1 INHIBITORS OF UNDECAPRENYL PYROPHOSPHATE SYNTHASE HURLEY TIMOTHY BRIAN 2009-08-13 US disclosed
US-20090203694-A1 INHIBITORS OF UNDECAPRENYL PYROPHOSPHATE SYNTHASE HURLEY TIMOTHY BRIAN 2009-08-13 US disclosed
US-20090203694-A1 INHIBITORS OF UNDECAPRENYL PYROPHOSPHATE SYNTHASE HURLEY TIMOTHY BRIAN 2009-08-13 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-20090203694-A1 INHIBITORS OF UNDECAPRENYL PYROPHOSPHATE SYNTHASE FDPS, UMPS, GGPS1 CHEK2 3789/4885ADRB2 3734/4885KMT2A 4780/4885

“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.