SCHEMBL4829121

SCHEMBL4829121

Cn1ncc(C=CC(=O)Nc2ccc(CP(=O)(O)O)cc2)c1-c1cccs1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.40
ALDH1A1 P00352 5/20 0.40
RAB9A P51151 5/20 0.40
SMN1; SMN2 Q16637 5/20 0.40
NPC1 O15118 4/20 0.40
HPGD P15428 2/20 0.40
HCRTR1 O43613 1/20 0.40
MAPT P10636 7/20 0.40
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
MAPK1 P28482 3/20 0.40
CASP3 P42574 2/20 0.40
SENP8 Q96LD8 2/20 0.40
SENP7 Q9BQF6 2/20 0.40
SENP6 Q9GZR1 2/20 0.40
FGFR1 P11362 1/20 0.38
FGFR4 P22455 1/20 0.38
CCNC P24863 5/20 0.38
CDK8 P49336 5/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL4829105 1.00 KDM4E (0.40) KDM4EALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL964305 0.88 HDAC1 (0.45) KDM4EALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL3486759 0.88 MAPT (0.42) KDM4EALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL3486750 0.88 MAPT (0.42) KDM4EALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL4827126 0.84 CCNC (0.47) KDM4ERAB9AMAPTMEN1KMT2A
SCHEMBL4827118 0.84 CCNC (0.47) KDM4ERAB9AMAPTMEN1KMT2A
SCHEMBL6430138 0.84 RAB9A (0.44) KDM4EALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL964306 0.84 MAPT (0.39) KDM4EALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL4554192 0.83 MAPT (0.41) KDM4EALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL4554191 0.83 MAPT (0.40) KDM4EALDH1A1RAB9ASMN1; SMN2NPC1

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 8 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 claimed
US-20060004069-A1 Agent for preventing or treating neuropathy TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-01-05 US claimed
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-20080194617-A1 Fused ring compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-08-14 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 (3 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-20080194617-A1 Fused ring compound SLC5A1, SLC5A2, GPR119 KDM4E 1314/4885ALDH1A1 421/4885RAB9A 2378/4885
US-20060004069-A1 Agent for preventing or treating neuropathy NR2C2, NR0B2, NR2E1 KDM4E 4406/4885ALDH1A1 2652/4885RAB9A 4059/4885
US-20080287438-A1 Agent for preventing or treating neuropathy NR2C2, NR0B2, NR2E1 KDM4E 4406/4885ALDH1A1 2652/4885RAB9A 4059/4885

“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.