SCHEMBL1444489

SCHEMBL1444489

Cn1cc(C(=O)O)c(=O)c2cc(F)c(Cl)nc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.49
NFE2L2 Q16236 1/20 0.49
LMNA P02545 4/20 0.44
CYP2C9 P11712 3/20 0.44
ATP6V1B2 P21281 1/20 0.44
TBXA2R P21731 1/20 0.44
EDNRA P25101 1/20 0.44
TARBP2 Q15633 1/20 0.44
KDM4E B2RXH2 3/20 0.41
TOP2A P11388 3/20 0.39
TOP2B Q02880 3/20 0.39
ALDH1A1 P00352 2/20 0.39
DRD3 P35462 1/20 0.39
EPHA2 P29317 1/20 0.39
FLT4 P35916 1/20 0.39
GSK3B P49841 1/20 0.39
RARB P10826 1/20 0.39
TBXAS1 P24557 1/20 0.39
SLC6A3 Q01959 1/20 0.39
DPP4 P27487 1/20 0.38

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
SCHEMBL6241091 0.83 LMNA (0.63) KEAP1NFE2L2LMNACYP2C9ATP6V1B2
SCHEMBL5874071 0.83 KEAP1 (0.46) KEAP1NFE2L2LMNACYP2C9ATP6V1B2
SCHEMBL22774208 0.83 KEAP1 (0.46) KEAP1NFE2L2LMNACYP2C9ATP6V1B2
SCHEMBL28331885 0.83 KDM4E (0.52) KEAP1NFE2L2LMNACYP2C9ATP6V1B2
SCHEMBL16469689 0.82 LMNA (0.48) KEAP1NFE2L2LMNACYP2C9ATP6V1B2
SCHEMBL9288483 0.82 LMNA (0.51) KEAP1NFE2L2LMNACYP2C9ATP6V1B2
SCHEMBL12665410 0.82 LMNA (0.43) LMNACYP2C9ATP6V1B2TBXA2REDNRA
Fluoride SCHEMBL5144825 0.81 LMNA (0.61) KEAP1NFE2L2LMNACYP2C9ATP6V1B2
SCHEMBL7230355 0.81 LMNA (0.39) KEAP1NFE2L2LMNACYP2C9ATP6V1B2
SCHEMBL5144832 0.80 LMNA (0.60) KEAP1NFE2L2LMNACYP2C9ATP6V1B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2991992-B1 QUINOLONE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2018-07-25 EP disclosed
US-9540399-B2 Quinolone derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2017-01-10 US disclosed
EP-2776431-B1 2-OXO-OXAZOLIDIN-3,5-DIYL ANTIBIOTIC DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2016-05-04 EP disclosed
EP-2991992-A1 QUINOLONE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2016-03-09 EP disclosed
US-20160060276-A1 QUINOLONE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2016-03-03 US disclosed
US-9079922-B2 2-oxo-oxazolidin-3,5-diyl antibiotic derivatives ACTELION PHARMACEUTICALS LTD (CH) 2015-07-14 US disclosed
US-20150051188-A1 2-OXO-OXAZOLIDIN-3,5-DIYL ANTIBIOTIC DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2015-02-19 US disclosed
WO-2014178008-A1 QUINOLONE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2014-11-06 WO disclosed
WO-2011037433-A2 USE OF A QUINOLONE DERIVATIVE CONTAINING 7-(4-AMINOMETHYL-3-OXIME)PYRROLIDINE GROUP THAT IS CAPABLE OF INDUCING GRANULOCYTE COLONY STIMULATING FACTOR FOR TREATMENT OF NEUTROPENIA AND RECOVERY OF HEMATOPOIESIS LG LIFE SCIENCES LTD. (KR) 2011-03-31 WO 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 (2 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-20160060276-A1 QUINOLONE DERIVATIVES NQO2, QARS1, RECQL KEAP1 1018/4885NFE2L2 1183/4885LMNA 1891/4885
US-20150051188-A1 2-OXO-OXAZOLIDIN-3,5-DIYL ANTIBIOTIC DERIVATIVES OXA1L, PYM1, MRPL21 KEAP1 2043/4885NFE2L2 3179/4885LMNA 1198/4885

“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.