SCHEMBL4833767

SCHEMBL4833767

Cn1ncc(/C=C/C(=O)Nc2ccc(C(C)(C)P(=O)(O)O)cc2)c1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.43
FLT1 P17948 2/20 0.41
KDR P35968 2/20 0.41
LMNA P02545 2/20 0.40
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
MAPK1 P28482 1/20 0.40
NAMPT P43490 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
MCHR1 Q99705 3/20 0.40
HTR2A P28223 2/20 0.40
THRB P10828 2/20 0.40
HTT P42858 2/20 0.40
HTR2C P28335 1/20 0.40
NPC1 O15118 1/20 0.40

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
SCHEMBL4833793 1.00 MAOB (0.43) MAOBFLT1KDRLMNAKDM4E
SCHEMBL4833906 0.92 MAOB (0.43) MAOBLMNAKDM4EPOLBMAPT
SCHEMBL4833879 0.92 MAOB (0.43) MAOBLMNAKDM4EPOLBMAPT
SCHEMBL4834031 0.91 HDAC1 (0.41) LMNAKDM4EPOLBMAPTHPGD
SCHEMBL4834055 0.91 HDAC1 (0.41) LMNAKDM4EPOLBMAPTHPGD
SCHEMBL4834307 0.90 HDAC1 (0.43) LMNAKDM4EPOLBMAPTHPGD
SCHEMBL4834633 0.90 HDAC1 (0.42) LMNAKDM4EPOLBMAPTHPGD
SCHEMBL4834323 0.90 HDAC1 (0.43) LMNAKDM4EPOLBMAPTHPGD
SCHEMBL4834608 0.90 HDAC1 (0.42) LMNAKDM4EPOLBMAPTHPGD
SCHEMBL4834023 0.90 CCNC (0.46) MAOBLMNAKDM4EPOLBMAPT

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-20080287438-A1 Agent for preventing or treating neuropathy MOMOSE YU 2008-11-20 US disclosed
US-7423159-B2 Agent for preventing or treating neuropathy TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-09-09 US disclosed
US-20060004069-A1 Agent for preventing or treating neuropathy TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-01-05 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 (2 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-20060004069-A1 Agent for preventing or treating neuropathy NR2C2, NR0B2, NR2E1 MAOB 881/4885FLT1 3414/4885KDR 1100/4885
US-20080287438-A1 Agent for preventing or treating neuropathy NR2C2, NR0B2, NR2E1 MAOB 881/4885FLT1 3414/4885KDR 1100/4885

“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.