SCHEMBL6414965

SCHEMBL6414965

CCOC(=O)CC(=O)c1cc(I)cc(F)c1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
KDM4E B2RXH2 3/20 0.41
GAA P10253 2/20 0.40
MGAM O43451 1/20 0.40
SI P14410 1/20 0.40
MGAM2 Q2M2H8 1/20 0.40
MIF P14174 1/20 0.40
MAP2K2 P36507 1/20 0.38
MAP2K1 Q02750 1/20 0.38
NLRP3 Q96P20 1/20 0.37
MAPT P10636 5/20 0.35
HTT P42858 3/20 0.35
NPSR1 Q6W5P4 2/20 0.35
TP53 P04637 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
LMNA P02545 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
CYP1A2 P05177 1/20 0.34

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
SCHEMBL13745873 0.85 CES2 (0.49) ALDH1A1MEN1KMT2AKDM4EGAA
SCHEMBL30958584 0.83 ALDH1A1 (0.44) ALDH1A1MEN1KMT2AKDM4EGAA
SCHEMBL1185918 0.83 ALDH1A1 (0.44) ALDH1A1MEN1KMT2AKDM4EGAA
SCHEMBL3718401 0.82 MAP2K1 (0.43) ALDH1A1MEN1KMT2AKDM4EGAA
SCHEMBL3190037 0.82 ALDH1A1 (0.43) ALDH1A1MEN1KMT2AKDM4EGAA
SCHEMBL13327633 0.80 CES2 (0.36) MAP2K2MAP2K1MAPK1
Acetic Acid SCHEMBL8870017 0.79 ALDH1A1 (0.41) ALDH1A1MEN1KMT2AKDM4EGAA
SCHEMBL2915243 0.79 ALDH1A1 (0.41) ALDH1A1MEN1KMT2AKDM4EGAA
SCHEMBL3190199 0.79 MEN1 (0.41) ALDH1A1MEN1KMT2AKDM4EGAA
SCHEMBL9266164 0.79 MEN1 (0.41) ALDH1A1MEN1KMT2AKDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1359917-B1 THIOXAZINOQUINOLONES USEFUL FOR THE TREATMENT OF VIRAL INFECTIONS PHARMACIA & UPJOHN CO LLC (US) 2005-06-29 EP disclosed
US-6821969-B2 FOR THERAPY AND PROPHYLAXIS OF HERPESVIRAL INFECTION PHARMACIA & UPJOHN COMPANY 2004-11-23 US disclosed
EP-1299395-B1 OXAZINOQUINOLONES USEFUL FOR THE TREATMENT OF VIRAL INFECTIONS UPJOHN CO (US) 2004-09-15 EP disclosed
US-20040029879-A1 Heterocycle carboxamides as antiviral agents ANDERSON DAVID JOHN (US) 2004-02-12 US disclosed
US-6673793-B2 N-(4-CHLOROBENZYL)-9-(MORPHOLIN-4-YLMETHYL)-7-OXO-2-(S)-PYRIDIN-2-YL-2,3-DIHYDRO-7H-(1,4) OXAZINO(2,3,4-IJ)QUINOLINE-6-CARBOXAMIDE, FOR EXAMPLE; INHIBITING A VIRAL DNA POLYMERASE; TREATING VIRUSES OF HERPES FAMILY PHARMACIA & UPJOHN CO. 2004-01-06 US disclosed
EP-1359917-A1 THIOXAZINOQUINOLONES USEFUL FOR THE TREATMENT OF VIRAL INFECTIONS PHARMACIA & UPJOHN COMPANY (US) 2003-11-12 EP disclosed
EP-1220858-B1 OXAZINOQUINOLONES USEFUL FOR THE TREATMENT OF VIRAL INFECTIONS UPJOHN CO (US) 2003-11-05 EP disclosed
US-6624159-B2 Herpes virus PHARMACIA & UPJOHN COMPANY 2003-09-23 US disclosed
EP-1299387-A1 HETEROCYCLE CARBOXAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2003-04-09 EP disclosed
EP-1299395-A1 OXAZINOQUINOLONES USEFUL FOR THE TREATMENT OF VIRAL INFECTIONS PHARMACIA & UPJOHN COMPANY (US) 2003-04-09 EP disclosed
US-20020143013-A1 Thioxazinoquinolones as antiviral agents PHARMACIA & UPJOHN COMPANY 2002-10-03 US disclosed
WO-2002064145-A1 THIOXAZINOQUINOLONES USEFUL FOR THE TREATMENT OF VIRAL INFECTIONS PHARMACIA & UPJOHN COMPANY (US) 2002-08-22 WO disclosed
US-20020103170-A1 Oxazinoquinolones useful for the treatment of viral infections PHARMACIA & UPJOHN COMPANY 2002-08-01 US disclosed
EP-1220858-A2 OXAZINOQUINOLONES USEFUL FOR THE TREATMENT OF VIRAL INFECTIONS PHARMACIA & UPJOHN COMPANY (US) 2002-07-10 EP disclosed
US-20020025959-A1 Heterocycle carboxamides as antiviral agents PHARMACIA & UPJOHN COMPANY 2002-02-28 US disclosed
US-6340680-B1 AS ANTIVIRAL AGENTS, AGAINST VIRUSES OF HERPES FAMILY PHARMACIA AND UPJOHN COMPANY 2002-01-22 US disclosed
WO-2002004462-A1 OXAZINOQUINOLONES USEFUL FOR THE TREATMENT OF VIRAL INFECTIONS PHARMACIA & UPJOHN COMPANY (US) 2002-01-17 WO disclosed
WO-2002004445-A1 HETEROCYCLE CARBOXAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2002-01-17 WO disclosed
WO-2001025239-A2 OXAZINOQUINOLONES USEFUL FOR THE TREATMENT OF VIRAL INFECTIONS PHARMACIA & UPJOHN COMPANY (US) 2001-04-12 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-20040029879-A1 Heterocycle carboxamides as antiviral agents ZC3HAV1, ZC3HAV1L, HDAC1 ALDH1A1 779/4885MEN1 2250/4885KMT2A 993/4885
US-20020103170-A1 Oxazinoquinolones useful for the treatment of viral infections ZC3HAV1, RPL5, ZC3HAV1L ALDH1A1 594/4885MEN1 2703/4885KMT2A 3221/4885
US-20020025959-A1 Heterocycle carboxamides as antiviral agents ZC3HAV1, ZC3HAV1L, HDAC1 ALDH1A1 779/4885MEN1 2250/4885KMT2A 993/4885
US-20020143013-A1 Thioxazinoquinolones as antiviral agents DDX5, IRF3, ZC3HAV1 ALDH1A1 858/4885MEN1 3887/4885KMT2A 2641/4885

“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.