SCHEMBL6402228

SCHEMBL6402228

Cc1c(NC(=O)OC(C)(C)C)ccc(NC(=O)NCCc2ccc(N(C)C)cc2)c1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 4/20 0.47
KCNQ4 P56696 3/20 0.38
KCNQ5 Q9NR82 3/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HDAC1 Q13547 2/20 0.37
NAMPT P43490 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
CA2 P00918 2/20 0.37
FPR2 P25090 1/20 0.36
PTGER4 P35408 1/20 0.36
CA1 P00915 1/20 0.36
MAPT P10636 1/20 0.36
CTSK P43235 1/20 0.35
CSF1R P07333 1/20 0.35

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
SCHEMBL6402233 0.83 KCNQ4 (0.43) KCNQ4KCNQ5
SCHEMBL6402953 0.73 ABCC1 (0.53) KCNQ4KCNQ5NPC1RAB9ACA2
SCHEMBL28740739 0.71 ELANE (0.41) CA1MAPT
SCHEMBL3986782 0.70 METAP2 (0.47) KCNQ4KCNQ5SMN1; SMN2CA1
SCHEMBL6402812 0.70 ELANE (0.56) KCNQ4KCNQ5CTSK
SCHEMBL28210980 0.70 BRD9 (0.39) CA1MAPT
SCHEMBL3988441 0.69 BRD9 (0.38) NPC1RAB9ASMN1; SMN2CA1MAPT
SCHEMBL6395566 0.69 CISD2 (0.40) NPC1RAB9ACA1MAPT
SCHEMBL4489061 0.66 KCNQ4 (0.38) KCNQ4KCNQ5MAPT
SCHEMBL379892 0.66 CA2 (0.54) NPC1RAB9ASMN1; SMN2NAMPTCA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050032795-A1 2-Amino-benzoxazinones for the treatment of herpes simplex virus G.D. SEARLE & CO. (US) 2005-02-10 US disclosed
US-6806269-B1 EFFECTIVE AT LOWER CONCENTRATIONS; SUCH AS 6-(((1,1-DIMETHYL-ETHOXY)CARBONYL)AMINO)-5-METHYL-2-(METHYL(PHENYLMETHYL) -AMINO)-4H-3,1-BENZOXAZIN-4-ONE G. D. SEARLE & COP 2004-10-19 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-20050032795-A1 2-Amino-benzoxazinones for the treatment of herpes simplex virus GABBR1, GABBR2, EBNA1BP2 CNR1 1968/4885KCNQ4 264/4885KCNQ5 230/4885

“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.