SCHEMBL4857435

SCHEMBL4857435

COc1cc(Br)ccc1OCc1cc(C)nn1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.40
THRB P10828 1/20 0.40
PTGER1 P34995 1/20 0.40
KCNH2 Q12809 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
ALDH1A1 P00352 2/20 0.39
HTT P42858 1/20 0.39
MC4R P32245 3/20 0.38
FFAR1 O14842 1/20 0.38
LMNA P02545 2/20 0.38
KDM4E B2RXH2 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
SLC6A4 P31645 1/20 0.37
PPARG P37231 1/20 0.37
GFER P55789 1/20 0.37
NCOA2 Q15596 1/20 0.37
NCOA1 Q15788 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
POLB P06746 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL13313000 0.84 GAA (0.54) MAPTSMN1; SMN2ALDH1A1HTTFFAR1
SCHEMBL24933018 0.79 FFAR1 (0.53) KCNH2SMN1; SMN2ALDH1A1HTTFFAR1
SCHEMBL4851905 0.76 SMN1; SMN2 (0.39) MAPTTHRBSMN1; SMN2ALDH1A1HTT
SCHEMBL4856194 0.71 TSHR (0.51) MAPTTHRBSMN1; SMN2ALDH1A1HTT
SCHEMBL5252344 0.71 KDM4E (0.45) MAPTSMN1; SMN2ALDH1A1HTTKDM4E
SCHEMBL8270922 0.70 FFAR1 (0.40) KCNH2SMN1; SMN2FFAR1
SCHEMBL4572874 0.69 KDM4E (0.59) MAPTSMN1; SMN2ALDH1A1KDM4ETDP1
SCHEMBL1447864 0.69 SLC6A4 (0.59) SMN1; SMN2ALDH1A1KDM4ESLC6A4KMT2A
SCHEMBL30504080 0.69 SLC6A4 (0.59) SMN1; SMN2ALDH1A1KDM4ESLC6A4KMT2A
SCHEMBL741492 0.68 SMN1; SMN2 (0.50) MAPTSMN1; SMN2ALDH1A1SLC6A4

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-7456169-B2 Heterocyclic kinase inhibitors ABBOTT LABORATORIES INC. (US) 2008-11-25 US disclosed
US-20070254867-A1 Heterocyclic Kinase Inhibitors ABBVIE INC. 2007-11-01 US 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-20070254867-A1 Heterocyclic Kinase Inhibitors MAP3K20, MAP3K19, MAP4K2 MAPT 3753/4885THRB 1953/4885PTGER1 1996/4885

“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.