SCHEMBL6468305

SCHEMBL6468305

Cc1cccc(C)c1NC1=NC(=O)C(CC(=O)NCc2c(F)cccc2Cl)S1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 9/20 0.48
ATM Q13315 1/20 0.44
SCN9A Q15858 2/20 0.44
ALDH1A1 P00352 2/20 0.42
SCN5A Q14524 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
POLB P06746 1/20 0.40
EPHX2 P34913 1/20 0.39
ROCK2 O75116 1/20 0.38
ROCK1 Q13464 1/20 0.38
KDM4E B2RXH2 1/20 0.37
NSD2 O96028 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL6498552 0.91 P2RX7 (0.46) P2RX7ATMSCN9AALDH1A1SCN5A
SCHEMBL6506396 0.87 P2RX7 (0.45) P2RX7ATMALDH1A1NPC1RAB9A
SCHEMBL6426489 0.82 P2RX7 (0.43) P2RX7ATMALDH1A1NPC1RAB9A
SCHEMBL6394322 0.82 KMT2A (0.42) P2RX7ATMALDH1A1ROCK2ROCK1
Trifluoroacetic Acid SCHEMBL6389330 0.79 KMT2A (0.40) P2RX7ATMALDH1A1ROCK2ROCK1
SCHEMBL6432429 0.78 DGAT1 (0.39) P2RX7ATMALDH1A1RAB9AKDM4E
Hydrochloric Acid SCHEMBL6427199 0.76 P2RX7 (0.40) P2RX7ATMALDH1A1EPHX2ROCK2
SCHEMBL6390197 0.74 ALDH1A1 (0.53) ALDH1A1POLBKDM4ENSD2GAA
SCHEMBL6427395 0.69 KMT2A (0.40) ALDH1A1RAB9AKDM4EGAAMAPT
SCHEMBL6362518 0.68 ATM (0.58) P2RX7ATMSCN9AALDH1A1SCN5A

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
US-20050239853-A1 New compounds BIOVITRUM AB (SE) 2005-10-27 US claimed
WO-2005075471-A2 THIAZOL-COMPOUNDS AS 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS BIOVITRUM AB (SE) 2005-08-18 WO claimed
US-20050032793-A1 2-amino-benzoxazinones for the treatment of viral infections G.D. SEARLE & CO. (US) 2005-02-10 US claimed
US-6683077-B2 4H-3,1-BENZOXAZIN-4-ONE COMPOUNDS OF GIVEN FORMULA; HERPES INFECTIONS; ASSEMBLIN PROTEASE INHIBITORS G.D. SEARLE & CO. 2004-01-27 US claimed
US-20030022895-A1 2-Amino-benzoxazinones for the treatment of viral infections G.D. SEARLE & CO. 2003-01-30 US claimed
US-6380189-B1 FOR TREATING HERPES-RELATED DISORDERS G.D. SEARLE & CO. 2002-04-30 US claimed
EP-1122245-A2 2-Amino-benzoxazinones for the treatment of viral infections G.D. Searle & Co. (US) 2001-08-08 EP claimed
WO-1996037485-A1 2-AMINO-BENZOXAZINONES FOR THE TREATMENT OF VIRAL INFECTIONS G.D. SEARLE & CO. (US) 1996-11-28 WO claimed
US-20050239853-A1 New compounds BIOVITRUM AB (SE) 2005-10-27 US disclosed
US-20050032793-A1 2-amino-benzoxazinones for the treatment of viral infections G.D. SEARLE & CO. (US) 2005-02-10 US disclosed
EP-1122245-B1 2-Amino-benzoxazinones for the treatment of viral infections SEARLE & CO (US) 2004-07-07 EP disclosed
US-6683077-B2 4H-3,1-BENZOXAZIN-4-ONE COMPOUNDS OF GIVEN FORMULA; HERPES INFECTIONS; ASSEMBLIN PROTEASE INHIBITORS G.D. SEARLE & CO. 2004-01-27 US disclosed
US-20030022895-A1 2-Amino-benzoxazinones for the treatment of viral infections G.D. SEARLE & CO. 2003-01-30 US disclosed
US-6380189-B1 FOR TREATING HERPES-RELATED DISORDERS G.D. SEARLE & CO. 2002-04-30 US disclosed
EP-0828721-B1 2-AMINO-BENZOXAZINONES FOR THE TREATMENT OF VIRAL INFECTIONS SEARLE & CO (US) 2001-11-14 EP disclosed
EP-1122245-A2 2-Amino-benzoxazinones for the treatment of viral infections G.D. Searle & Co. (US) 2001-08-08 EP disclosed
WO-1996037485-A1 2-AMINO-BENZOXAZINONES FOR THE TREATMENT OF VIRAL INFECTIONS G.D. SEARLE & CO. (US) 1996-11-28 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 (3 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-20030022895-A1 2-Amino-benzoxazinones for the treatment of viral infections IFNAR1, IL4I1, HAX1 P2RX7 274/4885ATM 4306/4885SCN9A 1795/4885
US-20050032793-A1 2-amino-benzoxazinones for the treatment of viral infections IFNAR1, IL4I1, ACE2 P2RX7 148/4885ATM 4142/4885SCN9A 2659/4885
US-20050239853-A1 New compounds HSD11B1, CYP11B1, HSD3B1 P2RX7 3883/4885ATM 3727/4885SCN9A 2307/4885

“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.