SCHEMBL4975876

SCHEMBL4975876

OC(c1ccccn1)c1cnc(Cl)nc1Cl

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.47
KDM4E B2RXH2 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
RECQL P46063 1/20 0.36
CYP3A4 P08684 1/20 0.36
PDE10A Q9Y233 1/20 0.36
KCNA5 P22460 4/20 0.36
TRPV3 Q8NET8 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
PIN1 Q13526 1/20 0.33
TP53 P04637 1/20 0.33
TSHR P16473 1/20 0.33
KCNE1 P15382 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 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
SCHEMBL10322414 0.78 S1PR2 (0.35)
SCHEMBL5002050 0.78 ALDH1A1 (0.45) MAPTKDM4EMEN1KMT2A
SCHEMBL25171192 0.78 SLC6A2 (0.44) MAPTKDM4ESLC6A2SLC6A4SLC6A3
SCHEMBL8183253 0.78 MAPT (0.50) MAPTKDM4ESLC6A2SLC6A4SLC6A3
SCHEMBL3048607 0.74 MAPT (0.55) MAPTKDM4ESLC6A2SLC6A4SLC6A3
SCHEMBL29864658 0.74 MAPT (0.55) MAPTKDM4ESLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL10324019 0.72 MAPT (0.53) MAPTKDM4ESLC6A2SLC6A4SLC6A3
SCHEMBL28799220 0.72 MAPT (0.53) MAPTKDM4ESLC6A2SLC6A4SLC6A3
SCHEMBL5001757 0.72 ACHE (0.47) MAPTKDM4ETDP1PIN1MEN1
SCHEMBL10322508 0.72 GAA (0.39) TDP1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080027037-A1 Cyclic compounds TANABE SEIYAKU CO., LTD. 2008-01-31 US disclosed
US-7273868-B2 Pyrazine derivatives TANABE SEIYAKU CO., LTD. (JP) 2007-09-25 US disclosed
US-7220736-B2 Pyrimidine compounds TANABE SEIYAKU CO., LTD. (JP) 2007-05-22 US disclosed
US-20040142930-A1 Cyclic compounds MITSUBISHI TANABE PHARMA CORPORATION (JP) 2004-07-22 US disclosed
US-20030229089-A1 Cyclic compounds TANABE SEIYAKU CO., LTD. (JP) 2003-12-11 US disclosed
EP-1277741-A1 CYCLIC COMPOUNDS TANABE SEIYAKU CO., LTD. (JP) 2003-01-22 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 (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-20030229089-A1 Cyclic compounds PDE3B, PDE5A, PDE9A MAPT 4760/4885KDM4E 999/4885SLC6A2 714/4885
US-20040142930-A1 Cyclic compounds PDE3B, PDE4A, PDE5A MAPT 4747/4885KDM4E 732/4885SLC6A2 786/4885
US-20080027037-A1 Cyclic compounds PDE4A, PDE4B, PDE3B MAPT 4804/4885KDM4E 635/4885SLC6A2 664/4885

“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.