SCHEMBL4526481

SCHEMBL4526481

CN(C)CCOc1ccc2cc(I)ccc2n1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 3/20 0.48
HTR1B P28222 1/20 0.39
HTR6 P50406 1/20 0.39
KDM4E B2RXH2 2/20 0.38
TDO2 P48775 1/20 0.38
ALDH1A1 P00352 1/20 0.38
ATM Q13315 2/20 0.37
MET P08581 1/20 0.37
ACHE P22303 2/20 0.37
NOS1 P29475 1/20 0.36
NOS2 P35228 1/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36

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
SCHEMBL4537311 0.87 SIGMAR1 (0.43) KDM4EACHEMAPTKMT2A
SCHEMBL4538225 0.82 HTR7 (0.48) HTR7HTR1BHTR6KDM4EALDH1A1
SCHEMBL4542194 0.81 PIK3CD (0.40) MEN1MAPTKMT2A
SCHEMBL4532061 0.80 HDAC1 (0.38) MEN1MAPTKMT2A
Hydrochloric Acid SCHEMBL18109860 0.76 KDM4E (0.45) HTR7HTR1BKDM4EALDH1A1ATM
SCHEMBL4538021 0.76 CHRNB2 (0.54) HTR7KDM4EALDH1A1MAPT
SCHEMBL2880088 0.76 TDO2 (0.47) HTR7HTR1BTDO2ATM
SCHEMBL7270843 0.75 APP (0.41) KDM4EALDH1A1KMT2A
SCHEMBL18109808 0.75 HTR7 (0.47) HTR7HTR1BKDM4EALDH1A1ATM
SCHEMBL4536226 0.74 SCN7A (0.58) MEN1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090264426-A1 Bicyclic aromatic substituted pyridone derivative MSD K.K. (JP) 2009-10-22 US disclosed
EP-1939194-A1 BICYCLIC AROMATIC SUBSTITUTED PYRIDONE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-07-02 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-20090264426-A1 Bicyclic aromatic substituted pyridone derivative PYCR1, CHRM1, MTR HTR7 918/4885HTR1B 94/4885HTR6 494/4885

“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.