SCHEMBL4240480

SCHEMBL4240480

O=C(Nc1ccc(-n2ccnc2)cc1)C1=C(O)CC(Cc2ccccc2)NC1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PORCN Q9H237 6/20 0.44
ROCK1 Q13464 1/20 0.43
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
ADRB1 P08588 1/20 0.41
ACP1 P24666 1/20 0.41
HDAC4 P56524 1/20 0.41
ALDH1A1 P00352 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CYP4Z1 Q86W10 1/20 0.40
MAPT P10636 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
BRD4 O60885 1/20 0.39
CREBBP Q92793 1/20 0.39
WNT3A P56704 1/20 0.38
TBXAS1 P24557 2/20 0.38
SIRT2 Q8IXJ6 1/20 0.37
SIRT1 Q96EB6 1/20 0.37
SIRT3 Q9NTG7 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
SCHEMBL4245955 0.99 PORCN (0.43) PORCNROCK1CYP3A4CYP2D6ADRB1
SCHEMBL13744285 0.84 BUB1 (0.40) ALDH1A1RAB9ASMN1; SMN2MAPT
SCHEMBL13743401 0.84 PORCN (0.46) PORCNROCK1CYP3A4CYP2D6ADRB1
SCHEMBL4245920 0.83 MEN1 (0.43) ALDH1A1RAB9ASMN1; SMN2MAPT
SCHEMBL4238703 0.82 NPC1 (0.41) ALDH1A1RAB9ASMN1; SMN2MAPT
SCHEMBL4244834 0.82 NPC1 (0.51) ALDH1A1RAB9ASMN1; SMN2MAPTL3MBTL1
SCHEMBL4244237 0.81 SMN1; SMN2 (0.52) ALDH1A1RAB9ASMN1; SMN2MAPTL3MBTL1
SCHEMBL13744357 0.80 PORCN (0.45) PORCNROCK1CYP3A4CYP2D6ADRB1
SCHEMBL4249844 0.79 SMN1; SMN2 (0.46) ALDH1A1RAB9ASMN1; SMN2MAPT
SCHEMBL4246935 0.79 NPC1 (0.47) ALDH1A1RAB9ASMN1; SMN2MAPTL3MBTL1

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 4029/4885CYP3A4 3053/4885

“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.