SCHEMBL3477487

SCHEMBL3477487

O=c1[nH][nH]c2cc(F)ccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 4/20 1.00
METAP2 P50579 1/20 0.59
KDM4E B2RXH2 1/20 0.52
ALOX5 P09917 1/20 0.50
LMNA P02545 2/20 0.46
ALDH1A1 P00352 2/20 0.46
POLB P06746 1/20 0.46
MAPT P10636 1/20 0.46
FEN1 P39748 1/20 0.44
CHEK1 O14757 1/20 0.44
AURKA O14965 1/20 0.44
DAPK3 O43293 1/20 0.44
JAK2 O60674 1/20 0.44
PRKD3 O94806 1/20 0.44
MAP4K4 O95819 1/20 0.44
PAK4 O96013 1/20 0.44
ABL1 P00519 1/20 0.44
NTRK1 P04629 1/20 0.44
CSF1R P07333 1/20 0.44
RET P07949 1/20 0.44

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
SCHEMBL4950054 0.83 DAO (0.70) DAOMETAP2KDM4EALOX5LMNA
SCHEMBL3110885 0.82 DAO (0.69) DAOMETAP2KDM4ELMNAALDH1A1
SCHEMBL8873789 0.77 KDM4E (0.67) DAOKDM4ELMNAALDH1A1FEN1
SCHEMBL3642521 0.75 DAO (0.60) DAOKDM4ELMNAALDH1A1FEN1
SCHEMBL15333160 0.74 METAP2 (1.00) DAOMETAP2ALOX5LMNACHEK1
SCHEMBL31456431 0.74 METAP2 (1.00) DAOMETAP2ALOX5LMNACHEK1
SCHEMBL8649896 0.74 DAO (0.59) DAOMETAP2KDM4EALOX5ALDH1A1
SCHEMBL13213412 0.74 DAO (0.59) DAOMETAP2KDM4EALOX5ALDH1A1
SCHEMBL612900 0.74 DAO (1.00) DAOMETAP2ALOX5LMNAALDH1A1
SCHEMBL3913296 0.74 DAO (0.59) DAOMETAP2KDM4EALOX5LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100204278-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment MERCK SHARP & DOHME CORP. 2010-08-12 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-20100204278-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment HCAR1, HCAR2, FFAR1 DAO 1988/4885METAP2 3574/4885KDM4E 4832/4885

“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.