SCHEMBL312827

SCHEMBL312827

O=C(O)c1cn(-c2ccc(F)cc2F)c2nc(N3CCNCC3)c(F)cc2c1=O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.71
EPHA2 P29317 1/20 0.70
FLT4 P35916 1/20 0.70
GSK3B P49841 1/20 0.70
RARB P10826 1/20 0.70
TBXAS1 P24557 1/20 0.70
SLC6A3 Q01959 1/20 0.70
LMNA P02545 6/20 0.65
CYP2C9 P11712 2/20 0.65
ATP6V1B2 P21281 1/20 0.65
TBXA2R P21731 1/20 0.65
EDNRA P25101 1/20 0.65
TARBP2 Q15633 1/20 0.65
KDM4E B2RXH2 5/20 0.64
ALDH1A1 P00352 5/20 0.64
HPGD P15428 4/20 0.64
HSD17B10 Q99714 4/20 0.64
HTT P42858 2/20 0.64
POLB P06746 2/20 0.64
XBP1 P17861 1/20 0.64

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
Hydrochloric Acid SCHEMBL10551298 0.99 KMT2A (0.70) KMT2AEPHA2FLT4GSK3BRARB
SCHEMBL14499425 0.91 KMT2A (0.75) KMT2AEPHA2FLT4GSK3BRARB
SCHEMBL4902751 0.89 LMNA (0.66) KMT2AEPHA2FLT4GSK3BRARB
SCHEMBL5572182 0.88 KMT2A (0.73) KMT2AEPHA2FLT4GSK3BRARB
SCHEMBL16101790 0.87 KMT2A (0.78) KMT2AEPHA2FLT4GSK3BRARB
SCHEMBL10902308 0.87 KMT2A (0.72) KMT2AEPHA2FLT4GSK3BRARB
SCHEMBL5568331 0.87 KMT2A (0.67) KMT2AEPHA2FLT4GSK3BRARB
SCHEMBL8129087 0.87 LMNA (0.63) KMT2AEPHA2FLT4GSK3BRARB
SCHEMBL5571314 0.86 KMT2A (0.71) KMT2AEPHA2FLT4GSK3BRARB
SCHEMBL9080327 0.86 KMT2A (0.64) KMT2AEPHA2FLT4GSK3BRARB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-85103150-A Process for producing antibacterial agent containing 1, 4-dihydro-4-oxo-1, 8-naphthyridine derivative and salt thereof 1986-10-22 CN claimed
JP-63132888-A None JP disclosed
US-20140073631-A1 ANTIVIRAL AND ANTIMICROBIAL COMPOUNDS VYMED CORPORATION (US) 2014-03-13 US disclosed
EP-1730154-B1 RIFAMYCIN DERIVATIVES EFFECTIVE AGAINST DRUG-RESISTANT MICROBES CUMBRE IP VENTURES L P (US) 2012-10-17 EP disclosed
US-8093381-B2 Method of synthesis of fluoroquinolones BIOCODEX (FR) 2012-01-10 US disclosed
EP-2138490-B1 New method for synthesis of fluoroquinolones BIOCODEX (FR) 2011-08-31 EP disclosed
US-20090054643-A1 NOVEL METHOD OF SYNTHESIS OF FLUOROQUINOLONES BIOCODEX (FR) 2009-02-26 US disclosed
US-7247634-B2 Rifamycin derivatives effective against drug-resistant microbes CUMBRE PHARMACEUTICALS INC. (US) 2007-07-24 US disclosed
US-7238694-B2 Rifamycin imino derivatives effective against drug-resistant microbes CUMBRE PHARMACEUTICALS, INC. (US) 2007-07-03 US disclosed
EP-1730154-A2 RIFAMYCIN DERIVATIVES EFFECTIVE AGAINST DRUG-RESISTANT MICROBES Cumbre Pharmaceuticals Inc. (US) 2006-12-13 EP disclosed
EP-1723150-A1 RIFAMYCIN IMINO DERIVATIVES EFFECTIVE AGAINST DRUG-RESISTANT MICROBES Cumbre Pharmaceuticals Inc. (US) 2006-11-22 EP disclosed
US-20050261262-A1 Rifamycin derivatives effective against drug-resistant microbes CUMBRE INC. (US) 2005-11-24 US disclosed
US-20050209210-A1 Rifamycin imino derivatives effective against drug-resistant microbes CUMBRE INC. (US) 2005-09-22 US disclosed
WO-2005070941-A1 RIFAMYCIN IMINO DERIVATIVES EFFECTIVE AGAINST DRUG-RESISTANT MICROBES CUMBRE PHARMACEUTICALS INC. (US) 2005-08-04 WO disclosed
WO-2005070940-A2 RIFAMYCIN DERIVATIVES EFFECTIVE AGAINST DRUG-RESISTANT MICROBES CUMBRE PHARMACEUTICALS INC. (US) 2005-08-04 WO disclosed
JP-S63132888-A 1,4-DIHYDRO-4-OXONAPHTHYRIDINE DERIVATIVE AND SALT THEREOF TOYAMA CHEM CO LTD 1988-06-04 JP disclosed
US-4616019-A ANTIBIOTIC ABBOTT LABORATORIES (US) 1986-10-07 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 (4 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-20090054643-A1 NOVEL METHOD OF SYNTHESIS OF FLUOROQUINOLONES NQO2, Q6ZSR9, QARS1 KMT2A 4373/4885EPHA2 4656/4885FLT4 4497/4885
US-20140073631-A1 ANTIVIRAL AND ANTIMICROBIAL COMPOUNDS GDA, GMPS, GANC KMT2A 4199/4885EPHA2 4871/4885FLT4 4218/4885
US-20050261262-A1 Rifamycin derivatives effective against drug-resistant microbes RIF1, MRPL37, AURKAIP1 KMT2A 3269/4885EPHA2 4821/4885FLT4 3046/4885
US-20050209210-A1 Rifamycin imino derivatives effective against drug-resistant microbes RIF1, TOP1, TOP2A KMT2A 2850/4885EPHA2 4874/4885FLT4 2680/4885

“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.