SCHEMBL4836586

SCHEMBL4836586

Cn1ncc(-c2ccc(F)cc2)c1C=CC(=O)Nc1ccc(CP(=O)(O)O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNC P24863 4/20 0.42
CDK8 P49336 4/20 0.42
CDK19 Q9BWU1 2/20 0.42
SMN1; SMN2 Q16637 3/20 0.39
KDM4E B2RXH2 1/20 0.39
MMP1 P03956 3/20 0.39
MMP2 P08253 3/20 0.39
MMP9 P14780 3/20 0.39
EGFR P00533 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
LMNA P02545 1/20 0.38
S1PR2 O95136 3/20 0.38
HPSE Q9Y251 2/20 0.38
ITGB1 P05556 1/20 0.38
ITGA4 P13612 1/20 0.38
ITGB7 P26010 1/20 0.38
TP53 P04637 1/20 0.36
POLB P06746 1/20 0.36
TDP1 Q9NUW8 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
SCHEMBL4836584 1.00 CCNC (0.42) CCNCCDK8CDK19SMN1; SMN2KDM4E
SCHEMBL4829130 0.88 BTK (0.41) CCNCCDK8CDK19SMN1; SMN2KDM4E
SCHEMBL4831171 0.85 CCNC (0.44) CCNCCDK8CDK19SMN1; SMN2MMP1
SCHEMBL4834355 0.85 CCNC (0.44) CCNCCDK8CDK19SMN1; SMN2MMP1
SCHEMBL4831155 0.85 CCNC (0.44) CCNCCDK8CDK19SMN1; SMN2MMP1
SCHEMBL4829125 0.83 MAOB (0.41) CCNCCDK8CDK19SMN1; SMN2KDM4E
SCHEMBL4829137 0.83 MAOB (0.41) CCNCCDK8CDK19SMN1; SMN2KDM4E
SCHEMBL6430692 0.83 CCNC (0.41) CCNCCDK8CDK19SMN1; SMN2KDM4E
SCHEMBL6430695 0.82 CCNC (0.40) CCNCCDK8CDK19SMN1; SMN2KDM4E
SCHEMBL6430688 0.82 CCNC (0.40) CCNCCDK8CDK19SMN1; SMN2KDM4E

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 CCNC 2548/4885CDK8 2963/4885CDK19 2585/4885
US-20080287438-A1 Agent for preventing or treating neuropathy NR2C2, NR0B2, NR2E1 CCNC 2548/4885CDK8 2963/4885CDK19 2585/4885

“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.