SCHEMBL4246052

SCHEMBL4246052

O=C(Nc1ccc(-n2ccnc2)cc1)C1=C(O)CC(C2CCCCC2)NC1=O

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PORCN Q9H237 3/20 0.41
ROCK1 Q13464 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
SLC6A9 P48067 1/20 0.40
CD38 P28907 5/20 0.38
BRD4 O60885 1/20 0.38
CREBBP Q92793 1/20 0.38
KMT2A Q03164 1/20 0.37
ENPP2 Q13822 1/20 0.36
MKNK1 Q9BUB5 1/20 0.36
MKNK2 Q9HBH9 1/20 0.36
ACP1 P24666 1/20 0.36
HTT P42858 1/20 0.36
MTOR P42345 1/20 0.36
HDAC4 P56524 1/20 0.36
ABCC9 O60706 1/20 0.36
KCNJ11 Q14654 1/20 0.36

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
SCHEMBL4244777 0.84 CHEK2 (0.39) KMT2AHDAC4
SCHEMBL4237397 0.83 MAPT (0.46) KMT2AHTT
SCHEMBL4413793 0.80 PORCN (0.42) PORCNROCK1HTR2AHTR2CHTR2B
SCHEMBL4246135 0.80 ALDH1A1 (0.52) KMT2A
SCHEMBL4413789 0.80 PORCN (0.42) PORCNROCK1HTR2AHTR2CHTR2B
SCHEMBL4413799 0.80 PORCN (0.42) PORCNROCK1HTR2AHTR2CHTR2B
SCHEMBL4245288 0.79 DEGS1 (0.51) KMT2A
SCHEMBL4246914 0.79 MAPT (0.43) KMT2A
SCHEMBL4244100 0.78 RXFP1 (0.47) KMT2AHTT
SCHEMBL4240480 0.77 PORCN (0.44) PORCNROCK1BRD4CREBBPACP1

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 PORCN 115/4885ROCK1 4029/4885HTR2A 4724/4885

“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.