SCHEMBL4831072

SCHEMBL4831072

COc1ccc(-c2c(C=O)cnn2C)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
NLRP3 Q96P20 1/20 0.44
ERN1 O75460 2/20 0.42
HTR7 P34969 1/20 0.42
PRMT5 O14744 1/20 0.42
WDR77 Q9BQA1 1/20 0.42
ALDH1A1 P00352 4/20 0.42
CYP2A6 P11509 1/20 0.42
ATM Q13315 1/20 0.41
NPBWR1 P48145 1/20 0.41
MCHR1 Q99705 1/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
MAPT P10636 2/20 0.40
PDE2A O00408 2/20 0.40
MAOA P21397 1/20 0.40
TRIM24 O15164 1/20 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
SCHEMBL16194462 0.84 ALDH1A3 (0.46) KMT2AERN1NPBWR1MCHR1MCL1
SCHEMBL4829311 0.82 RAB9A (0.43) MEN1KMT2APRMT5WDR77ALDH1A1
SCHEMBL4829265 0.81 THRB (0.51) ALDH1A1ATMLMNAMAPTKDM4E
SCHEMBL4829251 0.81 THRB (0.51) ALDH1A1ATMLMNAMAPTKDM4E
SCHEMBL4834746 0.81 THRB (0.51) ALDH1A1ATMLMNAMAPTKDM4E
SCHEMBL3630473 0.81 NR3C2 (0.41) KMT2AERN1PRMT5WDR77ALDH1A1
SCHEMBL4829107 0.81 PRMT5 (0.40) MEN1KMT2AERN1PRMT5WDR77
SCHEMBL4836369 0.81 PTGS2 (0.42) MEN1KMT2AERN1ALDH1A1LMNA
SCHEMBL4836837 0.80 LMNA (0.46) MEN1KMT2APRMT5WDR77ALDH1A1
SCHEMBL12871459 0.79 PRMT5 (0.46) MEN1KMT2AHTR7PRMT5WDR77

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 MEN1 3516/4885KMT2A 1653/4885NLRP3 1232/4885
US-20080287438-A1 Agent for preventing or treating neuropathy NR2C2, NR0B2, NR2E1 MEN1 3516/4885KMT2A 1653/4885NLRP3 1232/4885

“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.