SCHEMBL7011806

SCHEMBL7011806

CCOC(=O)c1cn(C2CC2)c2c(C)c(Br)c(F)cc2c1=O

nearest known ligand 0.77

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.59
KCNH2 Q12809 4/20 0.51
TOP2A P11388 5/20 0.46
TOP2B Q02880 5/20 0.46
STAT3 P40763 1/20 0.46
KMT2A Q03164 1/20 0.45
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
HSD17B10 Q99714 2/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL7599453 0.93 ADRB2 (0.65) ADRB2KCNH2TOP2ATOP2BSTAT3
SCHEMBL7584091 0.90 ADRB2 (0.57) ADRB2KCNH2TOP2ATOP2BSTAT3
SCHEMBL7005951 0.90 ADRB2 (0.57) ADRB2KCNH2TOP2ATOP2BSTAT3
SCHEMBL9188190 0.89 ADRB2 (0.61) ADRB2KCNH2TOP2ATOP2BSTAT3
SCHEMBL143605 0.89 ADRB2 (0.64) ADRB2KCNH2TOP2ATOP2BSTAT3
SCHEMBL10627001 0.89 ADRB2 (0.66) ADRB2KCNH2TOP2ATOP2BSTAT3
SCHEMBL7006273 0.89 ADRB2 (0.56) ADRB2KCNH2TOP2ATOP2BSTAT3
SCHEMBL30944930 0.89 ADRB2 (0.56) ADRB2KCNH2TOP2ATOP2BSTAT3
SCHEMBL7011678 0.89 ADRB2 (0.56) ADRB2KCNH2TOP2ATOP2BSTAT3
SCHEMBL2670291 0.88 ADRB2 (0.47) ADRB2KCNH2STAT3KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0775702-B1 NOVEL QUINOLONE- OR NAPHTHYRIDONECARBOXYLIC ACID DERIVATIVE OR SALT THEREOF TOYAMA CHEMICAL CO LTD (JP) 2003-07-23 EP disclosed
US-20020049223-A1 Quinoline and naphthyridine carboxylic acid antibacterials ABBOTT LABORATORIES 2002-04-25 US disclosed
US-5935952-A ANTIBACTERIAL AGENT TOYAMA CHEMICAL CO., LTD. (JP) 1999-08-10 US disclosed
EP-0775702-A1 NOVEL QUINOLONE- OR NAPHTHYRIDONECARBOXYLIC ACID DERIVATIVE OR SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 1997-05-28 EP 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-20020049223-A1 Quinoline and naphthyridine carboxylic acid antibacterials NQO2, NQO1, NDUFA7 ADRB2 3198/4885KCNH2 2211/4885TOP2A 182/4885

“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.