SCHEMBL4835407

SCHEMBL4835407

Cc1nn(C)c(-c2ccc(F)cc2)c1/C=C/C(=O)Nc1ccc(C(C)(C)P(=O)(O)O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.42
GRM5 P41594 9/20 0.42
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
THRB P10828 1/20 0.38
PKM P14618 1/20 0.38
BLM P54132 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MMP1 P03956 2/20 0.38
MMP2 P08253 2/20 0.38
MMP9 P14780 2/20 0.38
EGFR P00533 1/20 0.38
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 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
SCHEMBL4835439 1.00 MAOB (0.42) MAOBGRM5KDM4EALDH1A1TP53
SCHEMBL4834750 0.88 GRM5 (0.40) MAOBGRM5KDM4EALDH1A1TP53
SCHEMBL4834770 0.88 GRM5 (0.40) MAOBGRM5KDM4EALDH1A1TP53
SCHEMBL4825853 0.84 GRM5 (0.42) GRM5KDM4EALDH1A1TP53POLB
SCHEMBL4825840 0.84 GRM5 (0.42) GRM5KDM4EALDH1A1TP53POLB
SCHEMBL27632094 0.84 MAOB (0.43) MAOBGRM5KDM4EALDH1A1TP53
SCHEMBL4833906 0.83 MAOB (0.43) MAOBGRM5KDM4ETP53POLB
SCHEMBL4833879 0.83 MAOB (0.43) MAOBGRM5KDM4ETP53POLB
SCHEMBL4835414 0.80 GRM5 (0.41) GRM5ALDH1A1SMN1; SMN2MMP1MMP2
SCHEMBL4834758 0.79 GRM5 (0.39) GRM5ALDH1A1PKMSMN1; SMN2MMP1

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 881/4885GRM5 341/4885KDM4E 4406/4885
US-20080287438-A1 Agent for preventing or treating neuropathy NR2C2, NR0B2, NR2E1 MAOB 881/4885GRM5 341/4885KDM4E 4406/4885

“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.