SCHEMBL4831206

SCHEMBL4831206

CCOP(=O)(Cc1ccc(NC(=O)/C=C/c2cn(Cc3ccccc3)nc2-c2ccc(F)cc2)cc1)OCC

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.54
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
GAA P10253 1/20 0.49
PKM P14618 1/20 0.49
HDAC1 Q13547 12/20 0.48
HDAC2 Q92769 12/20 0.48
MAPT P10636 3/20 0.45
LMNA P02545 2/20 0.45
KDM4E B2RXH2 1/20 0.45
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44

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
SCHEMBL4829181 0.90 HDAC1 (0.46) MEN1KMT2AHDAC1HDAC2MAPT
SCHEMBL4836456 0.88 GAA (0.54) SMN1; SMN2MEN1KMT2AGAAPKM
SCHEMBL4836466 0.88 GAA (0.54) SMN1; SMN2MEN1KMT2AGAAPKM
SCHEMBL4826902 0.84 PTGDR2 (0.40) HDAC1HDAC2
SCHEMBL6432454 0.83 GAA (0.58) SMN1; SMN2MEN1KMT2AGAAPKM
SCHEMBL4831201 0.82 SMN1; SMN2 (0.51) SMN1; SMN2MEN1KMT2AGAAPKM
SCHEMBL4831215 0.82 SMN1; SMN2 (0.51) SMN1; SMN2MEN1KMT2AGAAPKM
SCHEMBL27612943 0.82 SMN1; SMN2 (0.55) SMN1; SMN2MEN1KMT2AGAAPKM
SCHEMBL1060125 0.79 BTK (0.41) SMN1; SMN2LMNAKDM4ERAB9ANPC1
SCHEMBL4829084 0.79 BTK (0.41) SMN1; SMN2LMNAKDM4ERAB9ANPC1

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 SMN1; SMN2 75/4885MEN1 3516/4885KMT2A 1653/4885
US-20080287438-A1 Agent for preventing or treating neuropathy NR2C2, NR0B2, NR2E1 SMN1; SMN2 75/4885MEN1 3516/4885KMT2A 1653/4885

“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.