SCHEMBL6766940

SCHEMBL6766940

O=C(NCc1ccc(Cl)cc1)c1cnc2c(I)cc(CO)cc2c1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 2/20 0.47
NHERF1 O14745 1/20 0.45
NR3C1 P04150 1/20 0.44
LMNA P02545 1/20 0.44
POLA1 P09884 2/20 0.43
HPGD P15428 3/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2C19 P33261 2/20 0.43
CYP3A4 P08684 1/20 0.43
TSHR P16473 1/20 0.42
CYP2C9 P11712 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL6198881 0.87 EGLN1 (0.47) EGLN1NHERF1NR3C1LMNAPOLA1
SCHEMBL6202614 0.87 EGLN1 (0.47) EGLN1NR3C1LMNAPOLA1HPGD
SCHEMBL6200422 0.85 SMN1; SMN2 (0.49) EGLN1NR3C1LMNAMEN1KMT2A
SCHEMBL6198193 0.84 EGLN1 (0.54) EGLN1NR3C1LMNAPOLA1HPGD
SCHEMBL6766761 0.84 MAPK1 (0.45) EGLN1NR3C1LMNACYP1A2CYP2C19
SCHEMBL6770778 0.83 KCNH2 (0.53) POLA1TSHRNPC1ALDH1A1RAB9A
SCHEMBL6200824 0.82 EGLN1 (0.48) EGLN1NHERF1NR3C1LMNAPOLA1
SCHEMBL6201600 0.81 EGLN1 (0.47) EGLN1NHERF1NR3C1LMNAPOLA1
SCHEMBL6196896 0.81 EGLN1 (0.47) EGLN1NR3C1LMNAPOLA1HPGD
SCHEMBL6198112 0.81 EGLN1 (0.47) EGLN1NHERF1NR3C1LMNAPOLA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6727248-B2 N-(4-CHLOROBENZYL)-8-(3-HYDROXY-1-PROPYNYL)-1-METHYL-6-(4 -MORPHOLINYLMETHYL)-4-OXO-1,4-DIHYDRO-3-QUINOLINECARBOXAMIDE, FOR TREATING INFECTIONS BY HERPES VIRUSES PHARMACIA & UPJOHN COMPANY 2004-04-27 US disclosed
US-6683181-B2 MIXING POLYSTYRENE-TOSYL CHLORIDE RESIN WITH C2-12ALKYNOL; REACTING WITH AMINE TO MAKE CHEMICAL INTERMEDIATE; HERPES VIRUS TREATMENT PHARMACIA AND UPJOHN COMAPNY 2004-01-27 US disclosed
EP-1363887-A1 SUBSTITUTED QUINOLINECARBOXAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2003-11-26 EP disclosed
US-20030153561-A1 Pyrroloquinolones as antiviral agents VAILLANCOURT VALERIE A (US) 2003-08-14 US disclosed
US-20030149035-A1 Substituted quinolinecarboxamides as antiviral agents VAILLANCOURT VALERIE A (US) 2003-08-07 US disclosed
EP-1299386-A1 PYRROLOQUINOLONES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2003-04-09 EP disclosed
US-6544990-B2 Substituted quinolinecarboxamides as antiviral agents PHARMACIA & UPJOHN COMPANY 2003-04-08 US disclosed
US-6525049-B2 Such as N-(4-chlorobenzyl)-2-(hydroxymethyl)-6-oxo-6H-pyrrolo (3,2,1-ij)quinoline-5-carboxamide for treatment of herpes PHARMACIA & UPJOHN COMPANY 2003-02-25 US disclosed
US-20020165253-A1 Substituted quinolinecarboxamides as antiviral agents PHARMACIA & UPJOHN COMPANY 2002-11-07 US disclosed
WO-2002070487-A1 SUBSTITUTED QUINOLINECARBOXAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2002-09-12 WO disclosed
US-20020055636-A1 Pyrroloquinolones as antiviral agents PHARMACIA & UPJOHN COMPANY 2002-05-09 US disclosed
WO-2002002558-A1 PYRROLOQUINOLONES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2002-01-10 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 (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-20030153561-A1 Pyrroloquinolones as antiviral agents ZC3HAV1, ZC3HAV1L, IRF3 EGLN1 753/4885NHERF1 1209/4885NR3C1 3294/4885
US-20020055636-A1 Pyrroloquinolones as antiviral agents ZC3HAV1, ZC3HAV1L, IRF3 EGLN1 753/4885NHERF1 1209/4885NR3C1 3294/4885
US-20030149035-A1 Substituted quinolinecarboxamides as antiviral agents ZC3HAV1, IRF3, EIF2AK2 EGLN1 1303/4885NHERF1 1876/4885NR3C1 4047/4885
US-20020165253-A1 Substituted quinolinecarboxamides as antiviral agents ZC3HAV1, IRF3, EIF2AK2 EGLN1 1303/4885NHERF1 1876/4885NR3C1 4047/4885

“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.