SCHEMBL4833849

SCHEMBL4833849

Cn1ncc(C=O)c1-c1cccc(F)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.44
WDR77 Q9BQA1 1/20 0.44
TGFBR1 P36897 1/20 0.41
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
KDM4C Q9H3R0 1/20 0.37
USP2 O75604 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
HIF1A Q16665 1/20 0.36
GRIN2B Q13224 3/20 0.36
PTGS2 P35354 2/20 0.36
IDO1 P14902 2/20 0.36
GRIN1 Q05586 2/20 0.36
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
EGLN2 Q96KS0 1/20 0.35
ERN1 O75460 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
SCHEMBL4831025 0.82 CCNC (0.46) PRMT5WDR77TGFBR1ALDH1A1KDM4E
SCHEMBL4831013 0.82 CCNC (0.46) PRMT5WDR77TGFBR1ALDH1A1KDM4E
SCHEMBL4829235 0.82 PRMT5 (0.44) PRMT5WDR77TGFBR1ALDH1A1KDM4C
SCHEMBL3630473 0.81 NR3C2 (0.41) PRMT5WDR77ALDH1A1KDM4EHIF1A
SCHEMBL4836837 0.81 LMNA (0.46) PRMT5WDR77ALDH1A1KDM4EHIF1A
SCHEMBL23087238 0.77 HTR2A (0.50) PRMT5WDR77TGFBR1IDO1HTR2A
SCHEMBL15428631 0.77 PRMT5 (0.46) PRMT5WDR77TGFBR1KDM4EIDO1
SCHEMBL29735245 0.77 HTR2A (0.50) PRMT5WDR77TGFBR1IDO1HTR2A
SCHEMBL4833921 0.76 ERN1 (0.47) ALDH1A1CYP1A2CYP3A4HIF1AERN1
SCHEMBL12776206 0.74 PRMT5 (0.43) PRMT5WDR77TGFBR1KDM4CGRIN2B

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 5 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
EP-1556032-A1 AGENT FOR PREVENTING OR TREATING NEUROPATHY Takeda Pharmaceutical Company Limited (JP) 2005-07-27 EP disclosed
WO-2004039365-A1 AGENT FOR PREVENTING OR TREATING NEUROPATHY TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-05-13 WO 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 PRMT5 1308/4885WDR77 2581/4885TGFBR1 1897/4885
US-20080287438-A1 Agent for preventing or treating neuropathy NR2C2, NR0B2, NR2E1 PRMT5 1308/4885WDR77 2581/4885TGFBR1 1897/4885

“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.