SCHEMBL6535849

SCHEMBL6535849

COc1ccc2nc(C(=O)O)c(O)cc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.51
ALDH1A1 P00352 4/20 0.49
HPGD P15428 3/20 0.49
POLB P06746 2/20 0.49
F2 P00734 1/20 0.49
GLA P06280 1/20 0.49
HSD17B10 Q99714 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.48
TRIM24 O15164 1/20 0.46
TYR P14679 1/20 0.46
TRIM33 Q9UPN9 1/20 0.46
LMNA P02545 1/20 0.46
CDK9 P50750 1/20 0.45
DYRK1A Q13627 1/20 0.45
NCF1 P14598 1/20 0.45
PDE3B Q13370 1/20 0.44
PDE3A Q14432 1/20 0.44
ALPG P10696 1/20 0.44
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44

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
SCHEMBL6597006 0.88 PRKAG1 (0.50) KDM4EALDH1A1HPGDPOLBHSD17B10
SCHEMBL6567169 0.88 ALDH1A1 (0.52) KDM4EALDH1A1HPGDPOLBF2
SCHEMBL6565865 0.81 EGLN1 (0.57) KDM4EALDH1A1HPGDPOLBSMN1; SMN2
SCHEMBL6564111 0.79 MTNR1B (0.48) KDM4EALDH1A1HPGDPOLBF2
SCHEMBL6564049 0.79 ALDH1A1 (0.50) KDM4EALDH1A1HPGDPOLBF2
SCHEMBL6086827 0.78 NCF1 (0.51) KDM4EALDH1A1HPGDPOLBF2
SCHEMBL8779126 0.77 KDM4E (0.46) KDM4EALDH1A1HPGDPOLBF2
SCHEMBL8006191 0.77 NCF1 (0.50) KDM4EALDH1A1HPGDPOLBF2
SCHEMBL20681140 0.76 PIM1 (0.46) KDM4EALDH1A1HPGDPOLBGLA
SCHEMBL873205 0.76 NCF1 (0.49) KDM4EALDH1A1HPGDPOLBF2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1343516-A4 ANALOGUES OF THIOCORALINE AND BE-22179 SCRIPPS RESEARCH INST (US) 2004-12-29 EP disclosed
US-20040072738-A1 Analogues of thiocoraline and be-22179 SCRIPPS RESEARCH INSTITUTE, THE 2004-04-15 US disclosed
EP-0765871-B1 Substituted Quinoline-2-carboxamides, their preparation and their use as prolyle-4-hydroxylase Inhibitors FIBROGEN INC (US) 2004-03-31 EP disclosed
EP-1343516-A2 ANALOGUES OF THIOCORALINE AND BE-22179 The Scripps Research Institute (US) 2003-09-17 EP disclosed
CN-1120157-C Substituted quinoline-2-carboxamides, process for their preparation and their use as pharmaceuticals, and intermediates thereof FIBER GENE CORP (US) 2003-09-03 CN disclosed
WO-2002049577-A2 ANALOGUES OF THIOCORALINE AND BE-22179 THE SCRIPPS RESEARCH INSTITUTE (US) 2002-06-27 WO disclosed
US-5726305-A Substituted quinoline-2-carboxamides, their preparation and their use as pharmaceuticals, and intermediates HOECHST AKTIENGESELLSCHAFT (DE) 1998-03-10 US disclosed
US-5719164-A Substituted quinoline-2-carboxamides, their preparation and their use as pharmaceuticals, and intermediates HOECHST AKTIENGESELLSCHAFT (DE) 1998-02-17 US disclosed
CN-1154365-A Substituted quinoline-2-carboxamides, process for their preparation and their use as pharmaceuticals, and intermediates thereof HOECHST AG (DE) 1997-07-16 CN disclosed
EP-0765871-A1 Substituted Quinoline-2-carboxamides, their preparation and their use as prolyle-4-hydroxylase Inhibitors HOECHST AKTIENGESELLSCHAFT (DE) 1997-04-02 EP disclosed
US-4780416-A BACTERICIDES, ANTITUMOR AGENTS BRISTOL-MYERS COMPANY (US) 1988-10-25 US disclosed
US-4631256-A FROM ACTINOMYCIN-ANTIBIOTIC, ANTITUMOR AGENT BRISTOL-MYERS COMPANY (US) 1986-12-23 US disclosed
US-4599310-A Process for producing antitumor antibiotic compound BRISTOL-MYERS COMPANY (US) 1986-07-08 US disclosed
US-4582639-A SANDRAMYCIN BRISTOL-MYERS COMPANY (US) 1986-04-15 US disclosed
US-4451456-A Antitumor antibacterial agents BRISTOL-MYERS COMPANY (US) 1984-05-29 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-20040072738-A1 Analogues of thiocoraline and be-22179 SSBP1, TOP2B, TOP1 KDM4E 3356/4885ALDH1A1 3103/4885HPGD 3214/4885

“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.