SCHEMBL4829137

SCHEMBL4829137

CCC(CC)(c1ccc(NC(=O)C=Cc2c(-c3ccc(F)cc3)cnn2C)cc1)P(=O)(O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.37
KDM4E B2RXH2 1/20 0.37
MMP1 P03956 4/20 0.36
MMP2 P08253 4/20 0.36
MMP9 P14780 4/20 0.36
EGFR P00533 1/20 0.36
CCNC P24863 1/20 0.36
CDK8 P49336 1/20 0.36
CDK19 Q9BWU1 1/20 0.36
S1PR2 O95136 3/20 0.36
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
LMNA P02545 1/20 0.36
SNCA P37840 2/20 0.35
MAPT P10636 3/20 0.35
POLB P06746 2/20 0.34
TP53 P04637 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MEN1 O00255 2/20 0.34

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
SCHEMBL4829125 1.00 MAOB (0.41) MAOBSMN1; SMN2KDM4EMMP1MMP2
SCHEMBL1060129 0.86 MAOB (0.41) MAOBSMN1; SMN2MMP1MMP2MMP9
SCHEMBL4829079 0.86 MAOB (0.41) MAOBSMN1; SMN2MMP1MMP2MMP9
SCHEMBL4830990 0.86 MAOB (0.41) MAOBSMN1; SMN2MMP1MMP2MMP9
SCHEMBL4836586 0.83 CCNC (0.42) MAOBSMN1; SMN2KDM4EMMP1MMP2
SCHEMBL4836584 0.83 CCNC (0.42) MAOBSMN1; SMN2KDM4EMMP1MMP2
SCHEMBL4831397 0.82 MAOB (0.41) MAOBSMN1; SMN2MMP1MMP2MMP9
SCHEMBL4831381 0.82 MAOB (0.41) MAOBSMN1; SMN2MMP1MMP2MMP9
SCHEMBL4834770 0.80 GRM5 (0.40) MAOBSMN1; SMN2KDM4EMMP1MMP2
SCHEMBL4831324 0.80 MAOB (0.40) MAOBSMN1; SMN2MMP1MMP2MMP9

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 881/4885SMN1; SMN2 75/4885KDM4E 4406/4885
US-20080287438-A1 Agent for preventing or treating neuropathy NR2C2, NR0B2, NR2E1 MAOB 881/4885SMN1; SMN2 75/4885KDM4E 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.