SCHEMBL4826971

SCHEMBL4826971

Cc1snnc1-c1ccc(F)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.51
PPARG P37231 1/20 0.45
NCOA2 Q15596 1/20 0.45
NCOA1 Q15788 1/20 0.45
NCOA3 Q9Y6Q9 1/20 0.45
ALDH1A1 P00352 3/20 0.44
MAPT P10636 2/20 0.44
LMNA P02545 2/20 0.44
MEN1 O00255 1/20 0.44
MITF O75030 1/20 0.44
HTT P42858 1/20 0.44
CASP6 P55212 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MKNK1 Q9BUB5 1/20 0.43
MKNK2 Q9HBH9 1/20 0.43
ADORA2A P29274 1/20 0.39
ADORA2B P29275 1/20 0.39
ADORA1 P30542 1/20 0.39
PKM P14618 2/20 0.39

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
SCHEMBL11771085 0.80 MEN1 (0.41) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL2357769 0.79 L3MBTL1 (0.53) PPARGNCOA2NCOA1NCOA3ALDH1A1
SCHEMBL4829120 0.72 PTGS2 (0.48) PTGS2PPARGNCOA2NCOA1NCOA3
SCHEMBL8918341 0.69 PTGS2 (1.00) PTGS2
SCHEMBL8188473 0.68 ALDH1A1 (0.61) PTGS2ALDH1A1HTTSMN1; SMN2ADORA2A
SCHEMBL14304002 0.68 PTGS2 (0.40) PTGS2ALDH1A1ADORA2AADORA2BADORA1
SCHEMBL17626168 0.67 ALDH1A1 (0.38) PTGS2ALDH1A1HTTADORA2AADORA2B
SCHEMBL9572144 0.67 ALDH1A1 (0.51) PTGS2ALDH1A1MAPTHTTSMN1; SMN2
SCHEMBL4586818 0.66 KMT2A (0.39) PTGS2NCOA1NCOA3ALDH1A1MAPT
SCHEMBL131267 0.65 SMN1; SMN2 (0.65) ALDH1A1MAPTLMNAMEN1HTT

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 PTGS2 414/4885PPARG 1111/4885NCOA2 15/4885
US-20080287438-A1 Agent for preventing or treating neuropathy NR2C2, NR0B2, NR2E1 PTGS2 414/4885PPARG 1111/4885NCOA2 15/4885

“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.