SCHEMBL4397300

SCHEMBL4397300

CCOC(=O)c1cn(Cc2ccc(OC)cc2OC)c2nc(N3CCCC3CO)ccc2c1=O

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
GNRHR P30968 7/20 0.43
ALDH1A1 P00352 3/20 0.43
POLB P06746 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
KDM4E B2RXH2 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TP53 P04637 1/20 0.40
ATM Q13315 1/20 0.40
MAPT P10636 1/20 0.39
KMT2A Q03164 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
SCHEMBL4397302 1.00 TSHR (0.44) TSHRMAPK1GNRHRALDH1A1POLB
SCHEMBL4401025 1.00 TSHR (0.44) TSHRMAPK1GNRHRALDH1A1POLB
SCHEMBL4404009 0.98 GNRHR (0.42) TSHRMAPK1GNRHRALDH1A1POLB
SCHEMBL4393074 0.95 GNRHR (0.44) TSHRMAPK1GNRHRALDH1A1POLB
SCHEMBL4393073 0.95 GNRHR (0.44) TSHRMAPK1GNRHRALDH1A1POLB
SCHEMBL4405985 0.91 KMT2A (0.41) TSHRMAPK1ALDH1A1POLBTDP1
SCHEMBL4401291 0.91 KMT2A (0.41) TSHRMAPK1ALDH1A1POLBTDP1
SCHEMBL4401298 0.91 KMT2A (0.41) TSHRMAPK1ALDH1A1POLBTDP1
SCHEMBL4409388 0.89 CNR1 (0.40) TSHRMAPK1ALDH1A1POLBTDP1
SCHEMBL4409384 0.89 CNR1 (0.40) TSHRMAPK1ALDH1A1POLBTDP1

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 TSHR 4543/4885MAPK1 1217/4885GNRHR 4592/4885

“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.