SCHEMBL4031699

SCHEMBL4031699

Cc1nn(-c2ccccn2)cc1COc1ccc(COc2ncccc2C=O)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
HTT P42858 2/20 0.38
MAPK1 P28482 2/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ALKBH1 Q13686 1/20 0.35
ALDH1A1 P00352 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ATM Q13315 1/20 0.34
PTGDR2 Q9Y5Y4 2/20 0.34
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33

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
SCHEMBL4035243 0.83 PTGDR2 (0.45) MAPTNPC1RAB9AHTTMAPK1
SCHEMBL4031762 0.83 MAPT (0.38) MAPTNPC1RAB9AHTTMAPK1
SCHEMBL4033996 0.82 SMN1; SMN2 (0.52) MAPTNPC1RAB9AHTTLMNA
SCHEMBL4034226 0.82 MAPT (0.37) MAPTNPC1RAB9AHTTMAPK1
SCHEMBL4028467 0.79 MAPT (0.40) MAPTNPC1RAB9AHTTMAPK1
SCHEMBL6035222 0.78 PTGDR2 (0.46) MAPTNPC1RAB9AHTTMAPK1
SCHEMBL4035599 0.76 PTGDR2 (0.46) MAPTNPC1RAB9AHTTMAPK1
SCHEMBL6034575 0.76 FFAR1 (0.53)
SCHEMBL4855344 0.74 KDM4E (0.39) MAPTNPC1RAB9AHTTMAPK1
SCHEMBL4035249 0.71 CCNB2 (0.47) MAPTNPC1RAB9AHTTALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1357115-B1 ALKANOIC ACID DERIVATIVES, PROCESS FOR THEIR PRODUCTION AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2009-06-17 EP disclosed
US-7238716-B2 Alkanoic acid derivatives process for their production and use thereof TAKEDA PHARMACEUTICALS COMPANY LIMITED (JP) 2007-07-03 US disclosed
US-20040058965-A1 Alkanoic acid derivatives process for their production and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-03-25 US disclosed
EP-1357115-A1 ALKANOIC ACID DERIVATIVES, PROCESS FOR THEIR PRODUCTION AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2003-10-29 EP 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 (1 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-20040058965-A1 Alkanoic acid derivatives process for their production and use thereof GPR119, ACOX1, ALK MAPT 4719/4885NPC1 614/4885RAB9A 3908/4885

“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.