SCHEMBL4399296

SCHEMBL4399296

COc1ccc(Cn2cc(C(=O)O)c(=O)c3cc(F)c(N4C[C@H](O)C[C@H]4CO)nc32)c(OC)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.43
CYP2C9 P11712 1/20 0.43
ATP6V1B2 P21281 1/20 0.43
TBXA2R P21731 1/20 0.43
EDNRA P25101 1/20 0.43
TARBP2 Q15633 1/20 0.43
DPP4 P27487 5/20 0.42
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
HSD17B10 Q99714 2/20 0.38
TSHR P16473 1/20 0.38
RAB9A P51151 1/20 0.38
EPHA2 P29317 1/20 0.38
FLT4 P35916 1/20 0.38
GSK3B P49841 1/20 0.38
RARB P10826 1/20 0.38
TBXAS1 P24557 1/20 0.38
SLC6A3 Q01959 1/20 0.38
CHRM2 P08172 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
SCHEMBL4392964 0.93 PDCD1 (0.36) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL2095977 0.84 DPP4 (0.43) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL4541886 0.82 LMNA (0.43) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL2093865 0.82 LMNA (0.55) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL2093593 0.82 LMNA (0.55) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL4406209 0.81 ALDH1A1 (0.40) LMNADPP4KDM4EALDH1A1HPGD
SCHEMBL2093210 0.80 DPP4 (0.39) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL4400068 0.78 ALDH1A1 (0.41) LMNAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL4400078 0.78 ALDH1A1 (0.41) LMNAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL2095506 0.78 DPP4 (0.45) LMNACYP2C9ATP6V1B2TBXA2REDNRA

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-7632946-B2 Naphthyridine-based antibacterial compositions ABBOTT LABORATORIES (US) 2009-12-15 US disclosed
US-20070088040-A1 Antibacterial compounds ABBVIE INC. 2007-04-19 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-20070088040-A1 Antibacterial compounds MRPL21, FDPS, PGLS LMNA 3464/4885CYP2C9 769/4885ATP6V1B2 3861/4885

“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.