SCHEMBL2095701

SCHEMBL2095701

Fc1cc(F)cc(CNC2CC[N]C2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 7/20 0.38
ALDH1A1 P00352 2/20 0.35
TSHR P16473 1/20 0.35
CARM1 Q86X55 2/20 0.35
PRMT6 Q96LA8 2/20 0.35
CCR3 P51677 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HDAC9 Q9UKV0 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34
PDE2A O00408 1/20 0.33
BCHE P06276 1/20 0.33
ACHE P22303 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
SCHEMBL737354 0.80 MAP4K4 (0.47) MAP4K4ALDH1A1TSHRCARM1PRMT6
SCHEMBL3129249 0.77 CARM1 (0.39) MAP4K4ALDH1A1CARM1PRMT6BCHE
SCHEMBL28469040 0.77 ALDH1A1 (0.51) MAP4K4ALDH1A1TSHRCARM1PRMT6
SCHEMBL2092320 0.76 GRIN2B (0.54) CARM1PRMT6BCHEACHEBACE1
SCHEMBL26269008 0.75 HRH3 (0.56) MAP4K4ALDH1A1TSHRHDAC1KDM4E
SCHEMBL2094325 0.75 BCHE (0.51) PDE2ABCHEACHEBACE1KDM4E
SCHEMBL2092600 0.74 KDM1A (0.53) ALDH1A1KDM4EPOLB
SCHEMBL2096691 0.73 GRIN2B (0.42) HDAC1BCHEACHEBACE1POLB
SCHEMBL2091680 0.73 ACHE (0.48) HDAC1BCHEACHEBACE1POLB
SCHEMBL2092195 0.73 HRH3 (0.42) ALDH1A1HDAC1BCHEACHEBACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1631570-A1 NAPHTHYRIDINE DERIVATIVES AS ANTIBACTERIAL AGENTS Abbott Laboratories (US) 2006-03-08 EP claimed
WO-2004083207-A1 NAPHTHYRIDINE DERIVATIVES AS ANTIBACTERIAL AGENTS ABBOTT LABORATORIES (US) 2004-09-30 WO claimed
US-20030232818-A1 Antibacterial compounds ABBVIE INC. 2003-12-18 US claimed
US-8163769-B2 1,8-naphthyridine derivatives ABBOTT LABORATORIES (US) 2012-04-24 US disclosed
EP-1631570-A1 NAPHTHYRIDINE DERIVATIVES AS ANTIBACTERIAL AGENTS Abbott Laboratories (US) 2006-03-08 EP disclosed
WO-2004083207-A1 NAPHTHYRIDINE DERIVATIVES AS ANTIBACTERIAL AGENTS ABBOTT LABORATORIES (US) 2004-09-30 WO disclosed
US-20030232818-A1 Antibacterial compounds ABBVIE INC. 2003-12-18 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-20030232818-A1 Antibacterial compounds PGLS, UGT1A1, CASP1 MAP4K4 2295/4885ALDH1A1 292/4885TSHR 4623/4885

“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.