SCHEMBL4825848

SCHEMBL4825848

O=C(O)/C=C/c1cn[nH]c1-c1ccc(F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 1/20 0.47
MEN1 O00255 1/20 0.46
MAPK1 P28482 1/20 0.46
KMT2A Q03164 1/20 0.46
RPS6KA3 P51812 1/20 0.43
MAPK13 O15264 1/20 0.43
MAPK12 P53778 1/20 0.43
MAPK11 Q15759 1/20 0.43
MAPK14 Q16539 1/20 0.43
ALDH1A1 P00352 3/20 0.43
DCAF1 Q9Y4B6 2/20 0.42
LMNA P02545 2/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 5/20 0.42
THRB P10828 1/20 0.41
CLK2 P49760 1/20 0.41
CLK3 P49761 1/20 0.41
DYRK1A Q13627 1/20 0.41
NPC1 O15118 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL4825861 1.00 TDO2 (0.47) TDO2MEN1MAPK1KMT2ARPS6KA3
SCHEMBL4834069 0.78 LMNA (0.55) MEN1MAPK1KMT2ARPS6KA3MAPK13
SCHEMBL26135427 0.73 TDO2 (0.50) TDO2MAPK14MAPTNPC1HTT
SCHEMBL3549781 0.73 DCAF1 (0.52) MEN1MAPK1KMT2AMAPK13MAPK12
SCHEMBL7493892 0.72 MAPK14 (0.48) TDO2MAPK13MAPK12MAPK11MAPK14
SCHEMBL31281342 0.71 CCNC (0.64) RPS6KA3
SCHEMBL28642517 0.71 CCNC (0.64) RPS6KA3
SCHEMBL31281344 0.71 CCNC (0.64) RPS6KA3
SCHEMBL14874620 0.71 CCNC (0.50) TDO2RPS6KA3MAPK14MAPTMIF
SCHEMBL14874621 0.71 CCNC (0.50) TDO2RPS6KA3MAPK14MAPTMIF

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 TDO2 843/4885MEN1 3516/4885MAPK1 1214/4885
US-20080287438-A1 Agent for preventing or treating neuropathy NR2C2, NR0B2, NR2E1 TDO2 843/4885MEN1 3516/4885MAPK1 1214/4885

“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.