SCHEMBL4829079

SCHEMBL4829079

CCC(CC)(c1ccc(NC(=O)/C=C\c2cnn(C)c2-c2ccc(F)cc2)cc1)P(=O)(O)O

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.41
CCNC P24863 6/20 0.38
CDK8 P49336 6/20 0.38
CDK19 Q9BWU1 2/20 0.38
MMP1 P03956 3/20 0.37
MMP2 P08253 3/20 0.37
MMP9 P14780 3/20 0.37
GRM5 P41594 1/20 0.37
EGFR P00533 1/20 0.37
LMNA P02545 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GFER P55789 1/20 0.36
SNCA P37840 2/20 0.36
PTK2 Q05397 1/20 0.35
TP53 P04637 1/20 0.35
POLB P06746 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL1060129 1.00 MAOB (0.41) MAOBCCNCCDK8CDK19MMP1
SCHEMBL4830990 1.00 MAOB (0.41) MAOBCCNCCDK8CDK19MMP1
SCHEMBL4829241 0.93 FLT1 (0.42) MAOBLMNANPC1RAB9ASMN1; SMN2
SCHEMBL4829260 0.93 FLT1 (0.42) MAOBLMNANPC1RAB9ASMN1; SMN2
SCHEMBL4829186 0.92 HDAC1 (0.39) CCNCCDK8CDK19MMP1MMP2
SCHEMBL4829207 0.92 HDAC1 (0.39) CCNCCDK8CDK19MMP1MMP2
SCHEMBL4826010 0.91 MAOB (0.41) MAOBCCNCCDK8CDK19MMP1
SCHEMBL4826020 0.91 MAOB (0.41) MAOBCCNCCDK8CDK19MMP1
SCHEMBL4831324 0.91 MAOB (0.40) MAOBCCNCCDK8CDK19MMP1
SCHEMBL4831303 0.91 MAOB (0.40) MAOBCCNCCDK8CDK19MMP1

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 881/4885CCNC 2548/4885CDK8 2963/4885
US-20080287438-A1 Agent for preventing or treating neuropathy NR2C2, NR0B2, NR2E1 MAOB 881/4885CCNC 2548/4885CDK8 2963/4885

“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.