SCHEMBL4241046

SCHEMBL4241046

O=C(Nc1ccc(-c2ccccc2)cc1)C1=C(O)C(CCc2ccccc2)NC1=O

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DEGS1 O15121 1/20 0.42
NR1H4 Q96RI1 1/20 0.41
ROCK2 O75116 5/20 0.41
PTPN1 P18031 2/20 0.40
NR0B1 P51843 1/20 0.40
MAPT P10636 1/20 0.39
TOP2A P11388 1/20 0.39
TOP2B Q02880 1/20 0.39
KDR P35968 2/20 0.39
FLT1 P17948 1/20 0.39
ROCK1 Q13464 1/20 0.39
CNR1 P21554 1/20 0.39

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
SCHEMBL13743845 0.89 MEN1 (0.47) NR0B1MAPT
SCHEMBL13743228 0.88 HDAC1 (0.50) MAPTKDRFLT1
SCHEMBL13743377 0.88 HPGDS (0.39) KDR
SCHEMBL13744417 0.87 POLB (0.43) NR0B1MAPT
SCHEMBL13744231 0.85 MGLL (0.44) ROCK2PTPN1MAPT
SCHEMBL13744096 0.85 NPC1 (0.38) NR0B1MAPT
SCHEMBL13743880 0.84 RAB9A (0.47) NR0B1MAPT
SCHEMBL13744095 0.84 RAB9A (0.40)
SCHEMBL13743425 0.84 DEGS1 (0.46) DEGS1KDR
SCHEMBL13743921 0.84 DEGS1 (0.46) DEGS1KDR

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 DEGS1 496/4885NR1H4 886/4885ROCK2 4337/4885

“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.