SCHEMBL4766471

SCHEMBL4766471

CCn1c(C(=O)O)cc(=O)c2cc(F)c(N3CCNCC3)cc21

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.60
KDM4E B2RXH2 7/20 0.60
LMNA P02545 6/20 0.60
HSD17B10 Q99714 6/20 0.60
HPGD P15428 6/20 0.60
TSHR P16473 2/20 0.60
HTT P42858 2/20 0.60
BRD4 O60885 1/20 0.60
CYP2J2 P51589 1/20 0.60
NPSR1 Q6W5P4 1/20 0.60
CYP2C9 P11712 2/20 0.49
CYP1A2 P05177 1/20 0.49
TOP2A P11388 1/20 0.49
TOP2B Q02880 1/20 0.49
DRD3 P35462 1/20 0.45
ATP6V1B2 P21281 1/20 0.43
TBXA2R P21731 1/20 0.43
EDNRA P25101 1/20 0.43
TARBP2 Q15633 1/20 0.43
MAPT P10636 1/20 0.42

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
SCHEMBL9743791 0.84 DRD3 (0.45) ALDH1A1KDM4ELMNAHSD17B10HPGD
SCHEMBL9743778 0.84 DRD3 (0.45) ALDH1A1KDM4ELMNAHSD17B10HPGD
SCHEMBL30539983 0.83 ALDH1A1 (0.52) ALDH1A1KDM4ELMNAHSD17B10HPGD
SCHEMBL6790985 0.81 ALDH1A1 (0.61) ALDH1A1KDM4ELMNAHSD17B10HPGD
Potassium SCHEMBL9744154 0.81 HSD17B10 (0.45) ALDH1A1KDM4ELMNAHSD17B10HPGD
SCHEMBL9744143 0.81 HSD17B10 (0.45) ALDH1A1KDM4ELMNAHSD17B10HPGD
Hydrochloric Acid SCHEMBL6248075 0.80 KDM4E (0.60) ALDH1A1KDM4ELMNAHSD17B10HPGD
SCHEMBL9344507 0.80 ALDH1A1 (0.62) ALDH1A1KDM4ELMNAHSD17B10HPGD
SCHEMBL6806695 0.80 LMNA (0.53) ALDH1A1KDM4ELMNAHSD17B10HPGD
Hydrochloric Acid SCHEMBL6223889 0.79 ALDH1A1 (0.59) ALDH1A1KDM4ELMNAHSD17B10HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1309565-B1 HETEROCYCLIC MUTILIN ESTERS AND THEIR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2008-04-09 EP disclosed
US-6878704-B2 Heterocyclic mutilin esters and their use as antibacterials SMITHKLINE BEECHAM P.L.C. (GB) 2005-04-12 US disclosed
US-20040058937-A1 Heterocyclic mutilin esters and their use as antibacterials SMITHKLINE BEECHAM P.L.C. (GB) 2004-03-25 US disclosed
EP-1309565-A1 HETEROCYCLIC MUTILIN ESTERS AND THEIR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2003-05-14 EP disclosed
WO-2003010144-A2 A PROCESS FOR SYNTHESIS OF FLUOROQUINOLONIC DERIVATIVES FARMACEUTSKO-HEMIJSKA INDUSTRIJA 'ZDRAVLJE' (YU) 2003-02-06 WO disclosed
WO-2002012199-A1 HETEROCYCLIC MUTILIN ESTERS AND THEIR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM P.L.C. (GB) 2002-02-14 WO disclosed
EP-0049593-B1 1-ETHYL-6-FLUORO-1,4-DIHYDRO-4-OXO-7-(1-PIPERAZINYL)-3-QUINOLINE CARBOXYLIC ACID AND METAL SALTS THEREOF USEFUL IN BURN THERAPY Fox, Charles l., Jr. (US) 1986-08-27 EP disclosed
US-4522819-A 1-Ethyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-3-quinoline carboxylic acid and metal salts thereof useful in burn therapy NORWICH EATON PHARMACEUTICALS, INC. (US) 1985-06-11 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-20040058937-A1 Heterocyclic mutilin esters and their use as antibacterials MLN, MSH2, MRPL21 ALDH1A1 852/4885KDM4E 4142/4885LMNA 2120/4885

“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.