SCHEMBL6505482

SCHEMBL6505482

Cc1cccc(NC(=O)N[C@H](C)c2ccc(Br)cc2)c1C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 5/20 0.56
SMN1; SMN2 Q16637 1/20 0.49
ALDH1A1 P00352 3/20 0.46
LMNA P02545 2/20 0.46
HSD17B10 Q99714 1/20 0.46
KDM4E B2RXH2 2/20 0.44
CNR1 P21554 1/20 0.43
MTOR P42345 1/20 0.41
ANPEP P15144 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL6498312 0.88 KDM4E (0.47) TRPV1SMN1; SMN2ALDH1A1HSD17B10KDM4E
SCHEMBL6496665 0.88 HSD17B10 (0.46) TRPV1SMN1; SMN2ALDH1A1HSD17B10KDM4E
SCHEMBL6504061 0.81 KDM4E (0.52) SMN1; SMN2LMNAHSD17B10KDM4EANPEP
SCHEMBL27493374 0.80 MAOA (0.57) SMN1; SMN2ALDH1A1LMNAKDM4EPOLB
SCHEMBL6497834 0.74 KMT2A (0.52) TRPV1SMN1; SMN2ALDH1A1LMNAKDM4E
SCHEMBL2007222 0.73 SMN1; SMN2 (0.67) SMN1; SMN2ALDH1A1LMNAPOLB
SCHEMBL3985690 0.73 SMN1; SMN2 (0.67) SMN1; SMN2ALDH1A1LMNAPOLB
SCHEMBL619526 0.73 SMN1; SMN2 (0.67) SMN1; SMN2ALDH1A1LMNAPOLB
SCHEMBL2407620 0.72 HTT (0.47) TRPV1SMN1; SMN2ALDH1A1LMNAHSD17B10
SCHEMBL4022009 0.72 TRPV1 (0.70) TRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050032793-A1 2-amino-benzoxazinones for the treatment of viral infections G.D. SEARLE & CO. (US) 2005-02-10 US 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
CN-1070480-C 2-amino-benzoxanones for the treatment of viral infections SEARLE & CO (US) 2001-09-05 CN disclosed
EP-1122245-A2 2-Amino-benzoxazinones for the treatment of viral infections G.D. Searle & Co. (US) 2001-08-08 EP disclosed
US-5985872-A THERAPEUTIC TREATMENT OF HERPES VIRAL INFECTION G.D. SEARLE & CO. (US) 1999-11-16 US 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 (2 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 TRPV1 1835/4885SMN1; SMN2 1354/4885ALDH1A1 1022/4885
US-20050032793-A1 2-amino-benzoxazinones for the treatment of viral infections IFNAR1, IL4I1, ACE2 TRPV1 2053/4885SMN1; SMN2 1274/4885ALDH1A1 1858/4885

“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.